diff --git a/README.rst b/README.rst
index c0fe305..2d9baca 100644
--- a/README.rst
+++ b/README.rst
@@ -17,6 +17,7 @@ Contributors
 - Henrique Miranda (UCL, Belgium) [development of the original phonon visualizer]
 - Thibault Sohier (EPFL) [support on the python code and on the examples]
 - Chara Cignarella (EPFL) [bug reporting and fixing]
+- Miki Bonacci (PSI) [support on the examples]
 
 =======
 License
diff --git a/config.yaml b/config.yaml
index 3840f7a..baf519b 100644
--- a/config.yaml
+++ b/config.yaml
@@ -37,6 +37,12 @@ data:
   C:
     title: "Graphene"
     filename: C.json
+  C4:
+    title: "Graphite"
+    filename: graphite.json
+  C2:
+    title: "Diamond"
+    filename: diamond.json
   PbI2:
     title: "PbI<sub>2</sub>"
     filename: PbI2.json
@@ -52,3 +58,9 @@ data:
   AgNO2:
     title: "AgNO<sub>2</sub>"
     filename: AgNO2.json
+  Al:
+    title: "Aluminum"
+    filename: aluminum.json
+  GaAs:
+    title: "GaAs"
+    filename: GaAs.json
diff --git a/convert-to-json.py b/convert-to-json.py
index ab74339..a0dc1b2 100755
--- a/convert-to-json.py
+++ b/convert-to-json.py
@@ -22,17 +22,39 @@
 with open(os.path.join(folder_name, "matdyn.modes")) as fhandle:
     matdyn_modes = fhandle.read()
 
-pretty_name_dict = {"BaTiO_3": "BaTiO<sub>3</sub>"}
+# pretty_name_dict only contains the names which should be rewritten with HTML (subscripts and other effects)
+pretty_name_dict = {
+    "PbI2": "PbI<sub>2</sub>",
+    "MoS2": "MoS<sub>2</sub>",
+    "AgNO2": "AgNO<sub>2</sub>",
+    "BaTiO_3": "BaTiO<sub>3</sub>",
+}
 
 highsym_qpts_default = [[0, "Γ"], [20, "M"], [40, "K"], [60, "Γ"]]
 highsym_qpts_dict = {
-    "BaTiO_3": [[0, "X"], [20, "Γ"], [40, "M"], [60, "Γ"], [100, "R"]],
+    system: [
+        [0, "Γ"],
+        [20, "X"],
+        [40, "U|K"],
+        [70, "Γ"],
+        [90, "L"],
+        [110, "W"],
+        [130, "X"],
+    ]
+    for system in ["GaAs", "diamond", "Aluminum"]
 }
 
-starting_reps_default = (5, 5, 1)
-starting_reps_dict = {"BaTiO_3": (3, 3, 3)}
+highsym_qpts_dict["BaTiO_3"] = (
+    [[0, "X"], [20, "Γ"], [40, "M"], [60, "Γ"], [100, "R"]],
+)
 
+# supercell.
+starting_reps_default = (5, 5, 1)  # for the 2D systems we use this default
+starting_reps_dict = {
+    system: (3, 3, 3) for system in ["BaTiO_3", "GaAs", "diamond", "Aluminum"]
+}
 
+print(system_name)
 phonons = QePhononQetools(
     scf_input=scf_input,
     scf_output=scf_output,
diff --git a/user_static/data/GaAs.json b/user_static/data/GaAs.json
new file mode 100644
index 0000000..0af481b
--- /dev/null
+++ b/user_static/data/GaAs.json
@@ -0,0 +1 @@
+{"name": "GaAs", "natoms": 2, "lattice": [[-2.873819071183179, 0.0, 2.873819071183179], [0.0, 2.873819071183179, 2.873819071183179], [-2.873819071183179, 2.873819071183179, 0.0]], "atom_types": ["Ga", "As"], "atom_numbers": [31, 33], "formula": "AsGa", "qpoints": [[-0.0, 0.0, 0.0], [0.024999912535101042, -1.3957711028247667e-18, 0.024999912535101042], [0.049999825070202085, -2.7915422056495334e-18, 0.049999825070202085], [0.07499973760530314, -1.2642988353762042e-19, 0.07499973760530314], [0.09999965014040417, -5.583084411299067e-18, 0.09999965014040417], [0.12499956267550522, 2.838048868753944e-18, 0.12499956267550522], [0.14999947521060628, -2.5285976707524084e-19, 0.14999947521060628], [0.1749993877457073, -5.709514294836687e-18, 0.1749993877457073], [0.19999930028080834, -1.1166168822598134e-17, 0.19999930028080834], [0.2249992128159094, 1.1132752265269334e-17, 0.2249992128159094], [0.24999912535101043, 5.676097737507888e-18, 0.24999912535101043], [0.2749990378861115, 4.950934993610964e-18, 0.2749990378861115], [0.29999895042121255, -5.057195341504817e-19, 0.29999895042121255], [0.3249988629563136, -5.962374061911928e-18, 0.3249988629563136], [0.3499987754914146, -1.1419028589673373e-17, 0.3499987754914146], [0.37499868802651565, -1.687568311743482e-17, 0.37499868802651565], [0.3999986005616167, -2.2332337645196267e-17, 0.3999986005616167], [0.42499851309671777, 2.7722159058300114e-17, 0.42499851309671777], [0.4499984256318188, 2.2265504530538668e-17, 0.4499984256318188], [0.47499833816691983, 1.680885000277722e-17, 0.47499833816691983], [0.49999825070202086, 1.1352195475015775e-17, 0.49999825070202086], [0.5062482288357961, 0.012499956267550554, 0.5062482288357961], [0.5124982069695714, 0.024999912535101098, 0.5124982069695714], [0.5187481851033466, 0.037499868802651534, 0.5187481851033466], [0.5249981632371219, 0.04999982507020208, 0.5249981632371219], [0.5312481413708972, 0.06249978133775262, 0.5312481413708972], [0.5374981195046724, 0.07499973760530317, 0.5374981195046724], [0.5437480976384477, 0.08749969387285365, 0.5437480976384477], [0.5499980757722229, 0.09999965014040416, 0.5499980757722229], [0.5562480539059982, 0.1124996064079547, 0.5562480539059982], [0.5624980320397734, 0.12499956267550519, 0.5624980320397734], [0.5687480101735487, 0.13749951894305584, 0.5687480101735488], [0.574997988307324, 0.14999947521060622, 0.574997988307324], [0.5812479664410992, 0.16249943147815676, 0.5812479664410992], [0.5874979445748746, 0.17499938774570742, 0.5874979445748746], [0.5937479227086498, 0.1874993440132578, 0.5937479227086497], [0.599997900842425, 0.1999993002808083, 0.599997900842425], [0.6062478789762002, 0.21249925654835886, 0.6062478789762002], [0.6124978571099756, 0.22499921281590948, 0.6124978571099756], [0.6187478352437509, 0.23749916908345997, 0.6187478352437509], [0.624997813377526, 0.24999912535101038, 0.624997813377526], [0.6374977696450767, 0.2749990378861116, 0.6374977696450767], [0.6499977259126272, 0.2999989504212126, 0.6499977259126272], [0.6624976821801777, 0.32499886295631364, 0.6624976821801777], [0.6749976384477281, 0.3499987754914145, 0.6749976384477281], [0.6874975947152787, 0.3749986880265157, 0.6874975947152787], [0.6999975509828291, 0.39999860056161674, 0.6999975509828292], [0.7124975072503797, 0.42499851309671777, 0.7124975072503797], [0.7249974635179303, 0.4499984256318187, 0.7249974635179302], [0.7374974197854808, 0.47499833816691983, 0.7374974197854808], [0.7499973760530313, 0.49999825070202086, 0.7499973760530313], [0.7624973323205818, 0.5249981632371219, 0.7624973323205818], [0.7749972885881324, 0.549998075772223, 0.7749972885881323], [0.7874972448556828, 0.574997988307324, 0.7874972448556828], [0.7999972011232334, 0.5999979008424251, 0.7999972011232334], [0.812497157390784, 0.6249978133775262, 0.812497157390784], [0.8249971136583344, 0.6499977259126272, 0.8249971136583344], [0.8374970699258849, 0.6749976384477281, 0.8374970699258849], [0.8499970261934355, 0.6999975509828293, 0.8499970261934355], [0.862496982460986, 0.7249974635179304, 0.862496982460986], [0.8749969387285365, 0.7499973760530313, 0.8749969387285366], [0.887496894996087, 0.7749972885881322, 0.887496894996087], [0.8999968512636375, 0.7999972011232334, 0.8999968512636376], [0.912496807531188, 0.8249971136583344, 0.9124968075311881], [0.9249967637987387, 0.8499970261934354, 0.9249967637987385], [0.937496720066289, 0.8749969387285365, 0.937496720066289], [0.9499966763338397, 0.8999968512636376, 0.9499966763338397], [0.9624966326013902, 0.9249967637987387, 0.9624966326013902], [0.9749965888689408, 0.9499966763338399, 0.9749965888689408], [0.9874965451364911, 0.9749965888689406, 0.9874965451364911], [0.9999965014040417, 0.9999965014040417, 0.9999965014040417], [0.9749965888689408, 0.9749965888689408, 0.9749965888689408], [0.9499966763338397, 0.9499966763338397, 0.9499966763338397], [0.9249967637987387, 0.9249967637987387, 0.9249967637987387], [0.8999968512636376, 0.8999968512636376, 0.8999968512636376], [0.8749969387285366, 0.8749969387285366, 0.8749969387285366], [0.8499970261934355, 0.8499970261934355, 0.8499970261934355], [0.8249971136583344, 0.8249971136583344, 0.8249971136583344], [0.7999972011232334, 0.7999972011232334, 0.7999972011232334], [0.7749972885881323, 0.7749972885881323, 0.7749972885881323], [0.7499973760530313, 0.7499973760530313, 0.7499973760530313], [0.7249974635179303, 0.7249974635179303, 0.7249974635179303], [0.6999975509828292, 0.6999975509828292, 0.6999975509828292], [0.6749976384477282, 0.6749976384477282, 0.6749976384477282], [0.6499977259126272, 0.6499977259126272, 0.6499977259126272], [0.6249978133775261, 0.6249978133775261, 0.6249978133775261], [0.5999979008424251, 0.5999979008424251, 0.5999979008424251], [0.574997988307324, 0.574997988307324, 0.574997988307324], [0.549998075772223, 0.549998075772223, 0.549998075772223], [0.5249981632371219, 0.5249981632371219, 0.5249981632371219], [0.49999825070202086, 0.49999825070202086, 0.49999825070202086], [0.49999825070202086, 0.4874982944344702, 0.5124982069695713], [0.499998250702021, 0.47499833816691983, 0.5249981632371219], [0.499998250702021, 0.46249838189936937, 0.5374981195046724], [0.499998250702021, 0.44999842563181885, 0.549998075772223], [0.499998250702021, 0.4374984693642682, 0.5624980320397734], [0.499998250702021, 0.4249985130967177, 0.574997988307324], [0.49999825070202086, 0.41249855682916725, 0.5874979445748746], [0.49999825070202086, 0.39999860056161674, 0.5999979008424251], [0.49999825070202086, 0.3874986442940662, 0.6124978571099756], [0.49999825070202086, 0.37499868802651554, 0.624997813377526], [0.49999825070202086, 0.36249873175896513, 0.6374977696450767], [0.49999825070202086, 0.3499987754914146, 0.6499977259126272], [0.49999825070202086, 0.3374988192238641, 0.6624976821801777], [0.49999825070202086, 0.3249988629563134, 0.6749976384477281], [0.49999825070202086, 0.31249890668876307, 0.6874975947152787], [0.49999825070202086, 0.29999895042121255, 0.6999975509828292], [0.499998250702021, 0.2874989941536621, 0.7124975072503799], [0.49999825070202086, 0.27499903788611135, 0.7249974635179302], [0.499998250702021, 0.26249908161856095, 0.7374974197854808], [0.49999825070202086, 0.24999912535101043, 0.7499973760530313], [0.49999825070202086, 0.23749916908345992, 0.7374974197854808], [0.49999825070202086, 0.22499921281590932, 0.7249974635179302], [0.49999825070202086, 0.21249925654835888, 0.7124975072503797], [0.49999825070202086, 0.19999930028080837, 0.6999975509828292], [0.49999825070202086, 0.18749934401325785, 0.6874975947152787], [0.49999825070202086, 0.17499938774570722, 0.6749976384477281], [0.49999825070202086, 0.16249943147815682, 0.6624976821801777], [0.49999825070202086, 0.14999947521060633, 0.6499977259126272], [0.49999825070202086, 0.13749951894305582, 0.6374977696450767], [0.49999825070202086, 0.12499956267550516, 0.624997813377526], [0.49999825070202086, 0.11249960640795477, 0.6124978571099756], [0.49999825070202086, 0.09999965014040414, 0.599997900842425], [0.49999825070202086, 0.08749969387285374, 0.5874979445748746], [0.49999825070202086, 0.07499973760530311, 0.574997988307324], [0.49999825070202086, 0.062499781337752594, 0.5624980320397734], [0.49999825070202086, 0.04999982507020208, 0.5499980757722229], [0.49999825070202075, 0.037499868802651555, 0.5374981195046724], [0.49999825070202086, 0.024999912535101042, 0.5249981632371219], [0.49999825070202086, 0.012499956267550526, 0.5124982069695714], [0.49999825070202086, 1.1352195475015775e-17, 0.49999825070202086]], "repetitions": [3, 3, 3], "atom_pos_car": [[0.0, 0.0, 0.0], [1.4369095355915895, 1.4369095355915893, 1.4369095355915893]], "atom_pos_red": [[0.0, 0.0, 0.0], [-0.25, 0.75, -0.25]], "eigenvalues": [[-2e-06, -0.0, 4e-06, 254.977815, 254.977815, 272.171977], [7.057806, 7.057806, 12.696425, 254.741087, 254.741087, 272.038293], [14.056882, 14.056882, 25.343419, 254.036049, 254.036049, 271.63774], [20.93776, 20.93776, 37.895636, 252.879684, 252.879684, 270.972051], [27.638955, 27.638955, 50.316037, 251.304891, 251.304891, 270.044692], [34.094889, 34.094889, 62.576743, 249.365645, 249.365645, 268.861138], [40.23331, 40.23331, 74.658293, 247.141164, 247.141164, 267.428353], [45.973385, 45.973385, 86.546994, 244.737018, 244.737018, 265.75317], [51.225539, 51.225539, 98.230644, 242.281263, 242.281263, 263.839464], [55.895588, 55.895588, 109.694671, 239.914903, 239.914903, 261.684953], [59.89375, 59.89375, 120.918928, 237.776809, 237.776809, 259.278355], [63.148562, 63.148562, 131.876274, 235.985212, 235.985212, 256.597968], [65.623123, 65.623123, 142.533106, 234.619527, 234.619527, 253.612355], [67.329141, 67.329141, 152.851421, 233.707445, 233.707445, 250.283269], [68.333827, 68.333827, 162.791455, 233.22158, 233.22158, 246.570483], [68.756549, 68.756549, 172.313454, 233.087122, 233.087122, 242.437985], [68.755454, 68.755454, 181.376532, 233.1982, 233.1982, 237.861645], [68.507002, 68.507002, 189.930035, 233.437989, 233.437989, 232.841632], [68.182354, 68.182354, 197.878539, 233.69753, 233.69753, 227.438072], [67.924203, 67.924203, 204.89095, 233.890138, 233.890138, 221.960168], [67.827118, 67.827118, 208.760231, 233.960633, 233.960633, 218.603547], [67.856339, 67.912447, 208.665724, 234.047813, 233.958075, 218.506598], [67.943509, 68.166595, 208.385879, 234.303168, 233.950493, 218.219464], [68.087155, 68.584124, 207.931158, 234.709842, 233.938161, 217.752135], [68.284861, 69.156226, 207.317337, 235.244384, 233.92153, 217.118254], [68.533315, 69.871072, 206.563548, 235.88114, 233.90122, 216.332623], [68.828382, 70.71426, 205.690361, 236.595479, 233.878009, 215.409826], [69.165188, 71.669312, 204.718219, 237.365514, 233.85282, 214.363982], [69.538209, 72.7182, 203.666341, 238.172671, 233.826702, 213.209139], [69.941376, 73.841858, 202.552024, 239.001604, 233.800817, 211.959909], [70.368181, 75.020668, 201.390184, 239.83983, 233.776411, 210.632092], [70.811776, 76.234917, 200.192981, 240.677278, 233.754801, 209.243274], [71.265081, 77.465213, 198.969372, 241.505872, 233.737347, 207.813412], [71.720879, 78.692869, 197.724532, 242.319158, 233.725431, 206.365455], [72.171905, 79.900264, 196.459156, 243.112006, 233.720432, 204.925954], [72.610937, 81.071186, 195.168899, 243.880363, 233.723707, 203.525451], [73.030866, 82.191155, 193.844434, 244.621054, 233.736563, 202.198132], [73.424767, 83.247728, 192.472823, 245.331623, 233.760244, 200.980117], [73.785959, 84.230768, 191.040548, 246.010203, 233.795908, 199.906043], [74.108056, 85.132659, 189.537399, 246.655408, 233.844609, 199.004778], [74.385015, 85.948443, 187.959334, 247.266244, 233.90729, 198.29621], [74.781271, 87.315216, 184.592595, 248.382346, 234.077719, 197.490642], [74.934495, 88.342487, 180.998175, 249.355804, 234.312098, 197.49348], [74.811747, 89.072216, 177.237396, 250.186453, 234.613143, 198.253822], [74.387814, 89.559819, 173.348214, 250.875636, 234.981496, 199.700709], 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[-0.0, 0.0]]], [[[-0.0, -0.0], [-0.533768, 0.24607], [-0.0, -0.0]], [[0.0, -0.494527], [0.0, 0.0], [0.6403, 0.0]]], [[[-0.204179, 0.336933], [-0.0, 0.0], [0.456776, 0.276803]], [[0.0, -0.0], [-0.418655, -0.619879], [0.0, 0.0]]]], [[[[0.0, -0.0], [-0.746551, 0.309232], [-0.0, -0.0]], [[-0.0, 0.158422], [-0.0, -0.0], [-0.567397, 0.0]]], [[[0.025964, -0.197461], [0.0, -0.0], [-0.757905, -0.099657]], [[-0.0, -0.0], [-0.531074, -0.306503], [0.0, -0.0]]], [[[-0.0, -0.0], [-0.166548, 0.068986], [0.0, -0.0]], [[-0.0, 0.859207], [-0.0, -0.0], [0.478817, 0.0]]], [[[-0.883915, 0.202591], [0.0, -0.0], [-0.085944, -0.374977]], [[-0.0, -0.0], [-0.028693, 0.169805], [-0.0, 0.0]]], [[[-0.0, -0.0], [-0.546075, 0.226192], [-0.0, 0.0]], [[0.0, -0.477638], [0.0, -0.0], [0.650002, 0.0]]], [[[-0.173701, -0.341419], [0.0, -0.0], [-0.484679, 0.246586]], [[0.0, 0.0], [0.744421, -0.058133], [-0.0, 0.0]]]], [[[[0.0, 0.0], [-0.75476, 0.278446], [0.0, -0.0]], [[-0.0, 0.139895], [0.0, -0.0], [-0.577265, 0.0]]], [[[0.061449, 0.16305], [0.0, -0.0], [0.721052, -0.271743]], [[0.0, -0.0], [0.613074, -0.00428], [0.0, 0.0]]], [[[-0.0, -0.0], [-0.172902, 0.063787], [-0.0, -0.0]], [[-0.0, 0.873452], [-0.0, 0.0], [0.450686, 0.0]]], [[[0.916438, 0.032984], [-0.0, 0.0], [-0.012872, 0.357633]], [[-0.0, 0.0], [0.066827, -0.16285], [0.0, 0.0]]], [[[-0.0, 0.0], [-0.558188, 0.205926], [0.0, -0.0]], [[0.0, -0.457726], [-0.0, 0.0], [0.660687, 0.0]]], [[[-0.127147, -0.347481], [-0.0, 0.0], [-0.52023, 0.190357]], [[-0.0, -0.0], [0.745796, 0.001978], [0.0, 0.0]]]], [[[[-0.0, -0.0], [0.761956, -0.247575], [-0.0, 0.0]], [[-0.0, -0.12221], [-0.0, 0.0], [0.585828, 0.0]]], [[[0.141561, 0.052528], [0.0, -0.0], [0.269732, -0.726913]], [[0.0, -0.0], [0.380551, -0.480857], [0.0, -0.0]]], [[[-0.0, -0.0], [-0.175585, 0.057051], [-0.0, -0.0]], [[0.0, 0.888406], [-0.0, 0.0], [0.420297, 0.0]]], [[[-0.924192, 0.072948], [0.0, -0.0], [-0.02602, -0.329645]], [[-0.0, -0.0], [-0.041199, 0.17178], [-0.0, 0.0]]], [[[-0.0, -0.0], [-0.570168, 0.185259], [-0.0, 0.0]], [[-0.0, -0.434066], [0.0, 0.0], [0.67244, 0.0]]], [[[-0.076791, -0.345627], [0.0, -0.0], [-0.551214, 0.122468]], [[0.0, 0.0], [0.742127, 0.071113], [-0.0, 0.0]]]], [[[[0.0, -0.0], [-0.768198, 0.216654], [-0.0, -0.0]], [[0.0, 0.105282], [0.0, -0.0], [-0.593168, 0.0]]], [[[0.129094, -0.004684], [0.0, -0.0], [-0.028249, -0.778532]], [[0.0, -0.0], [0.145012, -0.596133], [0.0, 0.0]]], [[[-0.0, 0.0], [-0.174016, 0.049078], [0.0, -0.0]], [[-0.0, 0.904222], [-0.0, 0.0], [0.3869, 0.0]]], [[[0.896628, -0.273002], [-0.0, 0.0], [0.088056, 0.289206]], [[0.0, 0.0], [-0.003588, -0.173553], [0.0, 0.0]]], [[[-0.0, 0.0], [-0.58206, 0.164158], [0.0, -0.0]], [[0.0, -0.405757], [-0.0, 0.0], [0.685288, 0.0]]], [[[-0.152849, -0.297244], [-0.0, 0.0], [-0.512174, 0.26337]], [[0.0, -0.0], [0.731173, -0.148269], [0.0, 0.0]]]], [[[[0.0, -0.0], [-0.773532, 0.185709], [-0.0, -0.0]], [[-0.0, 0.08902], [-0.0, -0.0], [-0.599363, 0.0]]], [[[0.04239, -0.099971], [0.0, -0.0], [-0.719833, -0.305226]], [[-0.0, -0.0], [-0.493636, -0.364979], [0.0, -0.0]]], [[[-0.0, -0.0], [-0.167521, 0.040218], [-0.0, -0.0]], [[-0.0, 0.920931], [0.0, 0.0], [0.349577, 0.0]]], [[[-0.847107, -0.425302], [0.0, -0.0], [0.121981, -0.242958]], [[-0.0, -0.0], [-0.107179, 0.12701], [-0.0, 0.0]]], [[[0.0, -0.0], [-0.593866, 0.142575], [-0.0, -0.0]], [[0.0, -0.371719], [0.0, 0.0], [0.699157, 0.0]]], [[[0.060465, -0.303443], [0.0, -0.0], [-0.576416, -0.114859]], [[-0.0, 0.0], [0.678768, 0.313195], [-0.0, 0.0]]]], [[[[0.0, 0.0], [0.777994, -0.154753], [0.0, -0.0]], [[-0.0, -0.073327], [0.0, -0.0], [0.604483, 0.0]]], [[[-0.047529, -0.075259], [0.0, -0.0], [-0.662873, 0.418634]], [[-0.0, -0.0], [-0.573449, 0.220405], [0.0, -0.0]]], [[[-0.0, -0.0], [-0.155359, 0.030903], [-0.0, -0.0]], [[0.0, 0.938347], [-0.0, -0.0], [0.307268, 0.0]]], [[[-0.956957, 0.062087], [0.0, 0.0], [-0.015426, -0.237761]], [[-0.0, -0.0], [-0.020157, 0.152331], [-0.0, 0.0]]], [[[-0.0, -0.0], [-0.60549, 0.120439], [-0.0, 0.0]], [[0.0, -0.330721], [0.0, -0.0], [0.713793, 0.0]]], [[[-0.20094, -0.192429], [0.0, -0.0], [-0.414983, 0.433338]], [[0.0, 0.0], [0.614498, -0.430108], [-0.0, 0.0]]]], [[[[0.0, 0.0], [0.781613, -0.123795], [0.0, -0.0]], [[-0.0, -0.058104], [0.0, 0.0], [0.608588, 0.0]]], [[[-0.007909, -0.06981], [0.0, -0.0], [-0.780573, 0.088434]], [[-0.0, -0.0], [-0.614174, -0.027205], [0.0, -0.0]]], [[[-0.0, 0.0], [-0.136805, 0.021668], [0.0, -0.0]], [[-0.0, 0.955928], [-0.0, 0.0], [0.258877, 0.0]]], [[[-0.735126, 0.633357], [0.0, -0.0], [-0.130836, -0.151859]], [[-0.0, -0.0], [0.071119, 0.114941], [-0.0, 0.0]]], [[[-0.0, -0.0], [-0.616669, 0.097671], [-0.0, 0.0]], [[0.0, -0.281517], [0.0, 0.0], [0.728648, 0.0]]], [[[-0.019629, -0.238472], [0.0, -0.0], [-0.61023, 0.050228]], [[-0.0, 0.0], [0.751438, 0.056429], [-0.0, 0.0]]]], [[[[0.0, -0.0], [-0.784409, 0.092841], [-0.0, -0.0]], [[-0.0, 0.043255], [-0.0, -0.0], [-0.611729, 0.0]]], [[[0.044905, -0.026508], [0.0, -0.0], [-0.399914, -0.677447]], [[0.0, -0.0], [-0.248286, -0.562822], [0.0, 0.0]]], [[[-0.0, -0.0], [-0.111363, 0.013181], [0.0, -0.0]], [[-0.0, 0.972626], [-0.0, 0.0], [0.203526, 0.0]]], [[[0.981358, -0.002912], [-0.0, 0.0], [0.000467, 0.157528]], [[0.0, 0.0], [0.012612, -0.109334], [0.0, 0.0]]], [[[0.0, 0.0], [-0.626887, 0.074197], [0.0, -0.0]], [[0.0, -0.22316], [-0.0, 0.0], [0.74277, 0.0]]], [[[0.160691, 0.104094], [0.0, 0.0], [0.339226, -0.523667]], [[-0.0, 0.0], [-0.48381, 0.583068], [-0.0, 0.0]]]], [[[[0.0, 0.0], [-0.786396, 0.061891], [0.0, -0.0]], [[-0.0, 0.028684], [0.0, -0.0], [-0.613944, 0.0]]], [[[0.005121, 0.034124], [0.0, -0.0], [0.778702, -0.116856]], [[-0.0, -0.0], [0.613924, -0.043301], [0.0, -0.0]]], [[[-0.0, -0.0], [-0.079124, 0.006227], [0.0, -0.0]], [[-0.0, 0.986822], [-0.0, 0.0], [0.141006, 0.0]]], [[[0.982427, 0.129591], [-0.0, -0.0], [-0.014276, 0.108225]], [[-0.0, 0.0], [0.016293, -0.076557], [0.0, 0.0]]], [[[0.0, 0.0], [-0.635336, 0.050002], [0.0, -0.0]], [[0.0, -0.155547], [-0.0, 0.0], [0.754754, 0.0]]], [[[-0.01276, -0.133866], [-0.0, 0.0], [-0.630974, 0.060146]], [[-0.0, -0.0], [0.761586, -0.012563], [0.0, 0.0]]]], [[[[-0.0, -0.0], [-0.787585, 0.030944], [-0.0, 0.0]], [[-0.0, 0.014296], [-0.0, -0.0], [-0.615262, 0.0]]], [[[0.000425, 0.017171], [-0.0, 0.0], [0.787603, -0.019486]], [[0.0, 0.0], [0.615571, 0.008948], [-0.0, 0.0]]], [[[0.0, -0.0], [-0.04121, 0.001619], [-0.0, -0.0]], [[-0.0, 0.996528], [0.0, 0.0], [0.072323, 0.0]]], [[[0.732505, 0.677226], [-0.0, 0.0], [-0.038023, 0.041127]], [[0.0, 0.0], [0.028855, -0.02885], [0.0, 0.0]]], [[[-0.0, -0.0], [-0.64101, 0.025185], [-0.0, -0.0]], [[0.0, -0.080076], [0.0, 0.0], [0.762928, 0.0]]], [[[0.002589, -0.069529], [0.0, -0.0], [-0.640157, -0.023837]], [[-0.0, 0.0], [0.76248, 0.058435], [-0.0, 0.0]]]], [[[[0.0, 0.0], [0.787981, -0.0], [-0.0, 0.0]], [[-0.0, -0.0], [0.0, 0.0], [0.6157, 0.0]]], [[[-0.0, 0.0], [0.0, 0.0], [0.787981, 0.0]], [[0.0, -0.0], [0.6157, 0.0], [0.0, 0.0]]], [[[0.0, -0.0], [-0.0, 0.0], [0.0, 0.0]], [[-1.0, -0.0], [-0.0, -0.0], [0.0, 0.0]]], [[[-1.0, -0.0], [-0.0, -0.0], [-0.0, 0.0]], [[-0.0, -0.0], [0.0, -0.0], [0.0, 0.0]]], [[[0.0, 0.0], [-0.518032, 0.0], [-0.380948, -0.0]], [[-0.0, 0.0], [0.453713, 0.0], [0.616982, 0.0]]], [[[-0.0, -0.0], [-0.380948, 0.0], [0.518032, 0.0]], [[0.0, -0.0], [-0.616982, -0.0], [0.453713, 0.0]]]]]}
\ No newline at end of file
diff --git a/user_static/data/GaAs/matdyn.in b/user_static/data/GaAs/matdyn.in
new file mode 100644
index 0000000..d1e3d84
--- /dev/null
+++ b/user_static/data/GaAs/matdyn.in
@@ -0,0 +1,17 @@
+&INPUT
+  asr = 'simple'
+  flfrc = 'GaAs.fc'
+  flfrq = 'GaAs.freq'
+  flvec = 'GaAs.modes'
+!  loto_2d = .true.
+  q_in_cryst_coord = .true.
+  q_in_band_form = .true.
+/
+7
+0.000 0.000 0.000  20 ! G
+0.5000000000	0.0000000000	0.5000000000  20 ! X
+0.6250000000	0.2500000000	0.6250000000 30 ! K
+1 1 1  20 ! G
+0.5000000000	0.5000000000	0.5000000000  20 ! L
+0.5000000000	0.2500000000	0.7500000000   20 ! W
+0.5000000000	0.0000000000	0.5000000000  1 ! X
diff --git a/user_static/data/GaAs/matdyn.modes b/user_static/data/GaAs/matdyn.modes
new file mode 100644
index 0000000..72daf67
--- /dev/null
+++ b/user_static/data/GaAs/matdyn.modes
@@ -0,0 +1,3013 @@
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      -0.000000 [THz] =      -0.000002 [cm-1]
+ (  0.285197  -0.000000     0.646372  -0.000000     0.029417   0.000000   )
+ (  0.285197   0.000000     0.646372  -0.000000     0.029417   0.000000   )
+     freq (    2) =      -0.000000 [THz] =      -0.000000 [cm-1]
+ (  0.015050   0.000000     0.025512  -0.000000    -0.706486  -0.000000   )
+ (  0.015050   0.000000     0.025512  -0.000000    -0.706486   0.000000   )
+     freq (    3) =       0.000000 [THz] =       0.000004 [cm-1]
+ (  0.646866   0.000000    -0.285573  -0.000000     0.003467  -0.000000   )
+ (  0.646866   0.000000    -0.285573   0.000000     0.003467   0.000000   )
+     freq (    4) =       7.644043 [THz] =     254.977815 [cm-1]
+ ( -0.000000   0.000000    -0.732048   0.000000     0.000000  -0.000000   )
+ (  0.000000   0.000000     0.681253  -0.000000     0.000000  -0.000000   )
+     freq (    5) =       7.644043 [THz] =     254.977815 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.732048   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.681253   0.000000   )
+     freq (    6) =       8.159511 [THz] =     272.171977 [cm-1]
+ ( -0.732048  -0.000000     0.000000   0.000000    -0.000000   0.000000   )
+ (  0.681253   0.000000    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.0500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.211588 [THz] =       7.057806 [cm-1]
+ ( -0.000000  -0.000000    -0.002646   0.033621    -0.704821  -0.055471   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.706409   0.000000   )
+     freq (    2) =       0.211588 [THz] =       7.057806 [cm-1]
+ ( -0.000000   0.000000    -0.698939   0.106457     0.005078   0.033341   )
+ ( -0.000000   0.000000    -0.687856   0.160832     0.000000   0.000000   )
+     freq (    3) =       0.380629 [THz] =      12.696425 [cm-1]
+ ( -0.703646   0.070179     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.695911   0.125159     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =       7.636946 [THz] =     254.741087 [cm-1]
+ ( -0.000000  -0.000000    -0.684027  -0.256524    -0.012237   0.032629   )
+ (  0.000000   0.000000     0.655367   0.188630     0.000000   0.000000   )
+     freq (    5) =       7.636946 [THz] =     254.741087 [cm-1]
+ ( -0.000000  -0.000000    -0.002734   0.034741    -0.728294  -0.057318   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.681973   0.000000   )
+     freq (    6) =       8.155503 [THz] =     272.038293 [cm-1]
+ (  0.727903   0.077518    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.681026  -0.018771     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.421415 [THz] =      14.056882 [cm-1]
+ (  0.000000   0.000000    -0.163993   0.088832    -0.678604  -0.093014   )
+ (  0.000000   0.000000    -0.147598   0.046725    -0.687090   0.000000   )
+     freq (    2) =       0.421415 [THz] =      14.056882 [cm-1]
+ ( -0.000000  -0.000000     0.679288  -0.087873    -0.163316  -0.090071   )
+ ( -0.000000  -0.000000     0.655050  -0.207369    -0.154817   0.000000   )
+     freq (    3) =       0.759777 [THz] =      25.343419 [cm-1]
+ ( -0.663710  -0.244269    -0.000000   0.000000    -0.000000   0.000000   )
+ ( -0.693503  -0.137386    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.615809 [THz] =     254.036049 [cm-1]
+ (  0.000000  -0.000000     0.722584  -0.070272    -0.006781  -0.069725   )
+ ( -0.000000   0.000000    -0.662170   0.171922    -0.000000   0.000000   )
+     freq (    5) =       7.615809 [THz] =     254.036049 [cm-1]
+ ( -0.000000   0.000000    -0.010959   0.069192    -0.717055  -0.113570   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.684125   0.000000   )
+     freq (    6) =       8.143495 [THz] =     271.637740 [cm-1]
+ ( -0.731210   0.032388     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.667618  -0.136268    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.627698 [THz] =      20.937760 [cm-1]
+ ( -0.000000   0.000000     0.689712   0.125096     0.104365  -0.081146   )
+ ( -0.000000   0.000000     0.695054  -0.026430     0.085871   0.000000   )
+     freq (    2) =       0.627698 [THz] =      20.937760 [cm-1]
+ ( -0.000000   0.000000     0.060657   0.117463    -0.678508  -0.176007   )
+ ( -0.000000   0.000000     0.085809  -0.003263    -0.695556   0.000000   )
+     freq (    3) =       1.136083 [THz] =      37.895636 [cm-1]
+ ( -0.694700  -0.133464    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.706067   0.032371    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.581142 [THz] =     252.879684 [cm-1]
+ ( -0.000000   0.000000    -0.289327  -0.229787     0.594261   0.193501   )
+ (  0.000000  -0.000000     0.320721   0.059940    -0.605347   0.000000   )
+     freq (    5) =       7.581142 [THz] =     252.879684 [cm-1]
+ ( -0.000000   0.000000    -0.588942  -0.209131    -0.369433   0.005617   )
+ (  0.000000  -0.000000     0.595044   0.111208     0.326274   0.000000   )
+     freq (    6) =       8.123538 [THz] =     270.972051 [cm-1]
+ (  0.730726  -0.038913    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.653330   0.194124     0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.828595 [THz] =      27.638955 [cm-1]
+ (  0.000000  -0.000000    -0.597129  -0.208631    -0.338978   0.024329   )
+ (  0.000000  -0.000000    -0.625366  -0.073700    -0.296475   0.000000   )
+     freq (    2) =       0.828595 [THz] =      27.638955 [cm-1]
+ (  0.000000  -0.000000    -0.232529  -0.247847     0.580230   0.251839   )
+ (  0.000000  -0.000000    -0.294437  -0.034700     0.629694   0.000000   )
+     freq (    3) =       1.508437 [THz] =      50.316037 [cm-1]
+ ( -0.703596  -0.075721    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.691477   0.145181    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.533931 [THz] =     251.304891 [cm-1]
+ ( -0.000000   0.000000    -0.555451  -0.437470    -0.088472   0.112331   )
+ (  0.000000  -0.000000     0.649869   0.239412    -0.000000   0.000000   )
+     freq (    5) =       7.533931 [THz] =     251.304891 [cm-1]
+ ( -0.000000  -0.000000    -0.044186   0.135989    -0.672435  -0.218488   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.692566   0.000000   )
+     freq (    6) =       8.095736 [THz] =     270.044692 [cm-1]
+ ( -0.720155  -0.128430     0.000000   0.000000     0.000000   0.000000   )
+ (  0.675372  -0.093576    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.022139 [THz] =      34.094889 [cm-1]
+ ( -0.000000   0.000000    -0.660561   0.230480    -0.168885   0.078179   )
+ (  0.000000   0.000000    -0.514305   0.398815    -0.228780   0.000000   )
+     freq (    2) =       1.022139 [THz] =      34.094889 [cm-1]
+ ( -0.000000   0.000000    -0.157741  -0.098753     0.626420   0.311545   )
+ ( -0.000000   0.000000    -0.180792   0.140195     0.650817   0.000000   )
+     freq (    3) =       1.876004 [THz] =      62.576743 [cm-1]
+ ( -0.605091  -0.367571    -0.000000   0.000000    -0.000000  -0.000000   )
+ ( -0.697956  -0.107765     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.475794 [THz] =     249.365645 [cm-1]
+ (  0.000000   0.000000    -0.091683  -0.227918     0.602135   0.298194   )
+ (  0.000000  -0.000000     0.173574  -0.000246    -0.676781   0.000000   )
+     freq (    5) =       7.475794 [THz] =     249.365645 [cm-1]
+ (  0.000000   0.000000    -0.636933  -0.214017    -0.225856   0.096652   )
+ ( -0.000000  -0.000000     0.676781  -0.000958     0.173574   0.000000   )
+     freq (    6) =       8.060254 [THz] =     268.861138 [cm-1]
+ (  0.709503  -0.176813     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.548406   0.405702    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.206164 [THz] =      40.233310 [cm-1]
+ (  0.000000   0.000000    -0.636804  -0.236501    -0.236982   0.128587   )
+ (  0.000000  -0.000000    -0.663430   0.024908    -0.158409   0.000000   )
+     freq (    2) =       1.206164 [THz] =      40.233310 [cm-1]
+ ( -0.000000  -0.000000     0.045269   0.265793    -0.579352  -0.354687   )
+ ( -0.000000   0.000000     0.158298  -0.005943    -0.663898   0.000000   )
+     freq (    3) =       2.238199 [THz] =      74.658293 [cm-1]
+ ( -0.664925  -0.244177    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.700853   0.084012    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.409106 [THz] =     247.141164 [cm-1]
+ (  0.000000   0.000000    -0.472312  -0.375173     0.193457   0.317013   )
+ ( -0.000000   0.000000     0.620192   0.014880    -0.336726   0.000000   )
+     freq (    5) =       7.409106 [THz] =     247.141164 [cm-1]
+ (  0.000000   0.000000    -0.370789   0.020937    -0.577096  -0.175479   )
+ ( -0.000000   0.000000     0.336629   0.008077     0.620370   0.000000   )
+     freq (    6) =       8.017300 [THz] =     267.428353 [cm-1]
+ ( -0.650865   0.332462    -0.000000   0.000000    -0.000000   0.000000   )
+ (  0.400621  -0.552582     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.378247 [THz] =      45.973385 [cm-1]
+ (  0.000000  -0.000000     0.229475   0.665603     0.087426  -0.205169   )
+ (  0.000000  -0.000000     0.535441   0.367419    -0.181335   0.000000   )
+     freq (    2) =       1.378247 [THz] =      45.973385 [cm-1]
+ (  0.000000  -0.000000     0.214781  -0.060057     0.630188   0.313927   )
+ (  0.000000  -0.000000     0.149519   0.102600     0.649379  -0.000000   )
+     freq (    3) =       2.594614 [THz] =      86.546994 [cm-1]
+ ( -0.708534  -0.012221     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.607866   0.358229     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.337031 [THz] =     244.737018 [cm-1]
+ ( -0.000000   0.000000     0.500974  -0.123720    -0.306765  -0.360584   )
+ (  0.000000  -0.000000    -0.398819   0.519401     0.284180   0.000000   )
+     freq (    5) =       7.337031 [THz] =     244.737018 [cm-1]
+ (  0.000000   0.000000    -0.367437   0.298523    -0.469969  -0.213097   )
+ ( -0.000000   0.000000     0.173071  -0.225399     0.654854   0.000000   )
+     freq (    6) =       7.967080 [THz] =     265.753170 [cm-1]
+ (  0.209888   0.699772     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.509007  -0.455168    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.535703 [THz] =      51.225539 [cm-1]
+ ( -0.000000   0.000000    -0.313777   0.666824     0.119899   0.002553   )
+ ( -0.000000   0.000000     0.137303   0.616877    -0.207648   0.000000   )
+     freq (    2) =       1.535703 [THz] =      51.225539 [cm-1]
+ ( -0.000000   0.000000     0.101960  -0.063139     0.609148   0.414788   )
+ ( -0.000000   0.000000     0.045114   0.202688     0.631973   0.000000   )
+     freq (    3) =       2.944881 [THz] =      98.230644 [cm-1]
+ ( -0.232024  -0.669694     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.578651  -0.403533     0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =       7.263410 [THz] =     242.281263 [cm-1]
+ ( -0.000000  -0.000000     0.285703   0.549879     0.272393  -0.141529   )
+ (  0.000000  -0.000000    -0.646197  -0.322812     0.000000   0.000000   )
+     freq (    5) =       7.263410 [THz] =     242.281263 [cm-1]
+ ( -0.000000  -0.000000    -0.180430   0.248341    -0.501325  -0.364234   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.722342   0.000000   )
+     freq (    6) =       7.909708 [THz] =     263.839464 [cm-1]
+ (  0.721484   0.114203     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.608483   0.310109    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.675708 [THz] =      55.895588 [cm-1]
+ (  0.000000   0.000000    -0.558811   0.420604    -0.263724  -0.105219   )
+ (  0.000000   0.000000    -0.153877   0.387998    -0.505945   0.000000   )
+     freq (    2) =       1.675708 [THz] =      55.895588 [cm-1]
+ ( -0.000000   0.000000    -0.280351   0.044995     0.453296   0.532635   )
+ (  0.000000   0.000000    -0.186520   0.470309     0.417398   0.000000   )
+     freq (    3) =       3.288564 [THz] =     109.694671 [cm-1]
+ ( -0.704990  -0.070304    -0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.579469   0.402818     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.192468 [THz] =     239.914903 [cm-1]
+ ( -0.000000  -0.000000    -0.228417   0.267443    -0.444725  -0.379831   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.730923   0.000000   )
+     freq (    5) =       7.192468 [THz] =     239.914903 [cm-1]
+ (  0.000000  -0.000000     0.000398   0.584852     0.351710  -0.000239   )
+ ( -0.000000   0.000000    -0.475074  -0.555475     0.000000  -0.000000   )
+     freq (    6) =       7.845118 [THz] =     261.684953 [cm-1]
+ ( -0.677341  -0.274153     0.000000   0.000000     0.000000   0.000000   )
+ (  0.647534  -0.216215    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.795569 [THz] =      59.893750 [cm-1]
+ (  0.000000  -0.000000     0.392413  -0.526674    -0.318706  -0.220817   )
+ (  0.000000  -0.000000    -0.099631  -0.635897     0.063265   0.000000   )
+     freq (    2) =       1.795569 [THz] =      59.893750 [cm-1]
+ (  0.000000   0.000000    -0.280684   0.267488    -0.469207  -0.459585   )
+ (  0.000000  -0.000000    -0.009793  -0.062503    -0.643654   0.000000   )
+     freq (    3) =       3.625058 [THz] =     120.918928 [cm-1]
+ ( -0.703106  -0.079886     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.552841   0.440032    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.128369 [THz] =     237.776809 [cm-1]
+ (  0.000000   0.000000    -0.279494   0.279092    -0.385915  -0.385621   )
+ ( -0.000000   0.000000     0.000386   0.002466     0.739155   0.000000   )
+     freq (    5) =       7.128369 [THz] =     237.776809 [cm-1]
+ ( -0.000000   0.000000    -0.321574   0.440709     0.319326   0.232466   )
+ (  0.000000  -0.000000    -0.114413  -0.730246     0.002496   0.000000   )
+     freq (    6) =       7.772970 [THz] =     259.278355 [cm-1]
+ (  0.731115   0.025077    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.498343   0.465291    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.893146 [THz] =      63.148562 [cm-1]
+ (  0.000000   0.000000     0.010009   0.604824     0.160277  -0.448298   )
+ (  0.000000  -0.000000     0.516585   0.108947    -0.358746   0.000000   )
+     freq (    2) =       1.893146 [THz] =      63.148562 [cm-1]
+ ( -0.000000  -0.000000    -0.475978  -0.010268    -0.561423  -0.225202   )
+ ( -0.000000   0.000000    -0.351024  -0.074030    -0.527948   0.000000   )
+     freq (    3) =       3.953551 [THz] =     131.876274 [cm-1]
+ ( -0.232241   0.666616     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.357274   0.611590     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.074659 [THz] =     235.985212 [cm-1]
+ (  0.000000  -0.000000    -0.546852  -0.045642    -0.359375   0.110803   )
+ (  0.000000   0.000000     0.584439  -0.213518     0.412654   0.000000   )
+     freq (    5) =       7.074659 [THz] =     235.985212 [cm-1]
+ (  0.000000   0.000000    -0.039744   0.373963    -0.149785  -0.527916   )
+ ( -0.000000   0.000000    -0.387597   0.141604     0.622221   0.000000   )
+     freq (    6) =       7.692614 [THz] =     256.597968 [cm-1]
+ (  0.694063   0.236323    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.584737   0.347146     0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.967332 [THz] =      65.623123 [cm-1]
+ (  0.000000   0.000000     0.612615  -0.164166    -0.020662  -0.446284   )
+ (  0.000000   0.000000     0.272172  -0.549888     0.147315   0.000000   )
+     freq (    2) =       1.967332 [THz] =      65.623123 [cm-1]
+ (  0.000000   0.000000    -0.326658   0.304781    -0.323469  -0.545541   )
+ (  0.000000   0.000000     0.065348  -0.132027    -0.613558   0.000000   )
+     freq (    3) =       4.273035 [THz] =     142.533106 [cm-1]
+ (  0.215881   0.669056    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.675910   0.221143     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       7.033716 [THz] =     234.619527 [cm-1]
+ ( -0.000000  -0.000000    -0.500632   0.238998     0.109737   0.336566   )
+ (  0.000000  -0.000000     0.169994  -0.706730     0.196377   0.000000   )
+     freq (    5) =       7.033716 [THz] =     234.619527 [cm-1]
+ (  0.000000   0.000000    -0.269520   0.229516    -0.301782  -0.465489   )
+ ( -0.000000   0.000000    -0.045926   0.190931     0.726887   0.000000   )
+     freq (    6) =       7.603107 [THz] =     253.612355 [cm-1]
+ (  0.673621   0.296401    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.584850   0.341074     0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.018477 [THz] =      67.329141 [cm-1]
+ (  0.000000   0.000000    -0.478009   0.450015    -0.048120  -0.419343   )
+ (  0.000000  -0.000000     0.178481   0.064475    -0.595665   0.000000   )
+     freq (    2) =       2.018477 [THz] =      67.329141 [cm-1]
+ (  0.000000   0.000000     0.251617   0.338900     0.656509   0.001535   )
+ (  0.000000   0.000000     0.560232   0.202379     0.189769   0.000000   )
+     freq (    3) =       4.582370 [THz] =     152.851421 [cm-1]
+ (  0.689311  -0.113325    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.269946  -0.662675    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =       7.006373 [THz] =     233.707445 [cm-1]
+ (  0.000000   0.000000    -0.436728  -0.023334    -0.096132   0.474383   )
+ ( -0.000000   0.000000     0.479508  -0.580467     0.087027   0.000000   )
+     freq (    5) =       7.006373 [THz] =     233.707445 [cm-1]
+ ( -0.000000  -0.000000    -0.396992   0.276909    -0.195139  -0.391403   )
+ (  0.000000   0.000000    -0.055425   0.067095     0.752907   0.000000   )
+     freq (    6) =       7.503304 [THz] =     250.283269 [cm-1]
+ (  0.548289   0.497191     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.645421   0.188711    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.048597 [THz] =      68.333827 [cm-1]
+ ( -0.000000   0.000000     0.627732  -0.332059     0.134388   0.303461   )
+ ( -0.000000  -0.000000    -0.016680  -0.065950     0.617181  -0.000000   )
+     freq (    2) =       2.048597 [THz] =      68.333827 [cm-1]
+ ( -0.000000   0.000000     0.237499  -0.231826    -0.459465  -0.541482   )
+ (  0.000000  -0.000000    -0.151333  -0.598340    -0.068026   0.000000   )
+     freq (    3) =       4.880365 [THz] =     162.791455 [cm-1]
+ ( -0.602237  -0.340786     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.602032   0.398414    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       6.991807 [THz] =     233.221580 [cm-1]
+ ( -0.000000   0.000000    -0.438181   0.072084    -0.009914   0.472043   )
+ ( -0.000000  -0.000000     0.306215  -0.675423     0.172958   0.000000   )
+     freq (    5) =       6.991807 [THz] =     233.221580 [cm-1]
+ (  0.000000  -0.000000    -0.405492   0.241867    -0.153846  -0.416569   )
+ ( -0.000000   0.000000    -0.071417   0.157525     0.741596   0.000000   )
+     freq (    6) =       7.391997 [THz] =     246.570483 [cm-1]
+ (  0.730582  -0.152143    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.174936   0.642262     0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.061269 [THz] =      68.756549 [cm-1]
+ ( -0.000000  -0.000000    -0.726626   0.239012    -0.163031  -0.078682   )
+ ( -0.000000  -0.000000    -0.104921   0.161446    -0.587405   0.000000   )
+     freq (    2) =       2.061269 [THz] =      68.756549 [cm-1]
+ (  0.000000   0.000000     0.110811   0.143147     0.082968  -0.760414   )
+ (  0.000000   0.000000     0.320088  -0.492532    -0.192544   0.000000   )
+     freq (    3) =       5.165827 [THz] =     172.313454 [cm-1]
+ ( -0.009949  -0.682229     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.679429  -0.269890     0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =       6.987776 [THz] =     233.087122 [cm-1]
+ ( -0.000000  -0.000000    -0.527194   0.266538    -0.006292  -0.259969   )
+ (  0.000000   0.000000    -0.122723  -0.039819     0.752830   0.000000   )
+     freq (    5) =       6.987776 [THz] =     233.087122 [cm-1]
+ (  0.000000   0.000000    -0.112515  -0.234444    -0.590738   0.002100   )
+ ( -0.000000   0.000000     0.716081   0.232339     0.129021   0.000000   )
+     freq (    6) =       7.268108 [THz] =     242.437985 [cm-1]
+ (  0.751375   0.073812     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.308965   0.578385    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.061237 [THz] =      68.755454 [cm-1]
+ (  0.000000  -0.000000    -0.512167   0.350798     0.461194  -0.147406   )
+ ( -0.000000   0.000000     0.403314   0.160541    -0.437906   0.000000   )
+     freq (    2) =       2.061237 [THz] =      68.755454 [cm-1]
+ (  0.000000  -0.000000    -0.483310  -0.028968    -0.582925  -0.213478   )
+ (  0.000000  -0.000000    -0.406858  -0.161952    -0.434092   0.000000   )
+     freq (    3) =       5.437532 [THz] =     181.376532 [cm-1]
+ ( -0.548553   0.380693    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.214669   0.712797     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       6.991106 [THz] =     233.198200 [cm-1]
+ ( -0.000000   0.000000     0.092179   0.190277     0.491760  -0.357900   )
+ ( -0.000000  -0.000000    -0.730806   0.222183     0.043989   0.000000   )
+     freq (    5) =       6.991106 [THz] =     233.198200 [cm-1]
+ (  0.000000   0.000000    -0.582057   0.176439    -0.096193  -0.188279   )
+ ( -0.000000   0.000000     0.042087  -0.012795     0.763834   0.000000   )
+     freq (    6) =       7.130913 [THz] =     237.861645 [cm-1]
+ ( -0.584489  -0.497729     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.545892  -0.335619     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.053788 [THz] =      68.507002 [cm-1]
+ (  0.000000   0.000000    -0.258599  -0.109177    -0.533272   0.507445   )
+ (  0.000000  -0.000000    -0.514719   0.323723    -0.097960   0.000000   )
+     freq (    2) =       2.053788 [THz] =      68.507002 [cm-1]
+ ( -0.000000   0.000000     0.709047  -0.197818    -0.038795   0.278007   )
+ (  0.000000   0.000000    -0.082923   0.052153     0.608056   0.000000   )
+     freq (    3) =       5.693959 [THz] =     189.930035 [cm-1]
+ ( -0.515671   0.385594     0.000000  -0.000000     0.000000  -0.000000   )
+ (  0.302483   0.702784     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       6.980417 [THz] =     232.841632 [cm-1]
+ ( -0.733459  -0.286118     0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.351985  -0.506242     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    5) =       6.998295 [THz] =     233.437989 [cm-1]
+ ( -0.000000  -0.000000    -0.607404   0.163931     0.038482  -0.128191   )
+ (  0.000000  -0.000000    -0.082861  -0.056138     0.759115   0.000000   )
+     freq (    6) =       6.998295 [THz] =     233.437989 [cm-1]
+ ( -0.000000   0.000000    -0.022302  -0.131971    -0.582412  -0.237927   )
+ ( -0.000000  -0.000000     0.628464   0.425780     0.100087   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.044056 [THz] =      68.182354 [cm-1]
+ ( -0.000000  -0.000000     0.768909  -0.136113    -0.072321   0.077163   )
+ ( -0.000000   0.000000    -0.066173  -0.051944     0.609910   0.000000   )
+     freq (    2) =       2.044056 [THz] =      68.182354 [cm-1]
+ (  0.000000  -0.000000    -0.041347  -0.097339    -0.675092  -0.392427   )
+ ( -0.000000   0.000000    -0.479758  -0.376593    -0.084125   0.000000   )
+     freq (    3) =       5.932249 [THz] =     197.878539 [cm-1]
+ ( -0.496384  -0.333869     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.545739   0.586774     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =       6.818422 [THz] =     227.438072 [cm-1]
+ ( -0.632032   0.524408     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.291148  -0.490678    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    5) =       7.006076 [THz] =     233.697530 [cm-1]
+ ( -0.000000   0.000000    -0.198279   0.114021     0.531772   0.279933   )
+ ( -0.000000   0.000000    -0.581594  -0.464898     0.179332   0.000000   )
+     freq (    6) =       7.006076 [THz] =     233.697530 [cm-1]
+ ( -0.000000  -0.000000    -0.596311   0.074548    -0.145369  -0.176587   )
+ (  0.000000  -0.000000     0.140079   0.111972     0.744568   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.036316 [THz] =      67.924203 [cm-1]
+ ( -0.000000  -0.000000     0.563325   0.001676     0.546981  -0.066428   )
+ ( -0.000000   0.000000     0.431614  -0.054574     0.435652   0.000000   )
+     freq (    2) =       2.036316 [THz] =      67.924203 [cm-1]
+ (  0.000000   0.000000     0.543785  -0.088872    -0.540472   0.158832   )
+ (  0.000000  -0.000000    -0.432211   0.054649     0.435051   0.000000   )
+     freq (    3) =       6.142476 [THz] =     204.890950 [cm-1]
+ ( -0.423190   0.220268     0.000000   0.000000     0.000000   0.000000   )
+ (  0.343351   0.809013    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =       6.654198 [THz] =     221.960168 [cm-1]
+ ( -0.885329  -0.113473     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.092238  -0.441372    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    5) =       7.011850 [THz] =     233.890138 [cm-1]
+ ( -0.000000  -0.000000     0.571962  -0.068855    -0.285493   0.008072   )
+ (  0.000000  -0.000000     0.340927   0.073962    -0.681796   0.000000   )
+     freq (    6) =       7.011850 [THz] =     233.890138 [cm-1]
+ (  0.000000   0.000000     0.284581   0.024197     0.567156   0.101075   )
+ ( -0.000000   0.000000    -0.666296  -0.144550    -0.348857   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.033406 [THz] =      67.827118 [cm-1]
+ (  0.000000   0.000000     0.787981  -0.000000    -0.000000   0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.615700   0.000000   )
+     freq (    2) =       2.033406 [THz] =      67.827118 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.787981   0.000000   )
+ (  0.000000  -0.000000     0.615700   0.000000     0.000000   0.000000   )
+     freq (    3) =       6.258474 [THz] =     208.760231 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =       6.553569 [THz] =     218.603547 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    5) =       7.013963 [THz] =     233.960633 [cm-1]
+ ( -0.000000  -0.000000    -0.380948   0.000000     0.518032   0.000000   )
+ (  0.000000  -0.000000    -0.616982  -0.000000     0.453713   0.000000   )
+     freq (    6) =       7.013963 [THz] =     233.960633 [cm-1]
+ (  0.000000   0.000000    -0.518032   0.000000    -0.380948  -0.000000   )
+ ( -0.000000   0.000000     0.453713   0.000000     0.616982   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0125      0.0125
+ **************************************************************************
+     freq (    1) =       2.034282 [THz] =      67.856339 [cm-1]
+ ( -0.000000  -0.000000     0.556739  -0.021874    -0.556739   0.021874   )
+ ( -0.000000   0.000000    -0.435388   0.000000     0.435388   0.000000   )
+     freq (    2) =       2.035964 [THz] =      67.912447 [cm-1]
+ (  0.000477   0.012132     0.556801  -0.021877     0.556801  -0.021877   )
+ ( -0.000000  -0.010108     0.435165  -0.000000     0.435165   0.000000   )
+     freq (    3) =       6.255641 [THz] =     208.665724 [cm-1]
+ ( -0.000044  -0.001119     0.020772  -0.000816     0.020772  -0.000816   )
+ ( -0.000000  -0.998244    -0.036351   0.000000    -0.036351   0.000000   )
+     freq (    4) =       6.550663 [THz] =     218.506598 [cm-1]
+ ( -0.039212  -0.998022     0.027997  -0.001100     0.027997  -0.001100   )
+ ( -0.000000   0.003613    -0.020380   0.000000    -0.020380   0.000000   )
+     freq (    5) =       7.013887 [THz] =     233.958075 [cm-1]
+ ( -0.000000  -0.000000    -0.454357   0.017852     0.454357  -0.017852   )
+ (  0.000000  -0.000000    -0.541517   0.000000     0.541517   0.000000   )
+     freq (    6) =       7.016577 [THz] =     234.047813 [cm-1]
+ ( -0.001937  -0.049298    -0.452913   0.017795    -0.452913   0.017795   )
+ ( -0.000000  -0.056853     0.540112  -0.000000     0.540112   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0250
+ **************************************************************************
+     freq (    1) =       2.036895 [THz] =      67.943509 [cm-1]
+ ( -0.000000  -0.000000    -0.555398   0.043711     0.555398  -0.043711   )
+ ( -0.000000   0.000000     0.435456  -0.000000    -0.435456   0.000000   )
+     freq (    2) =       2.043583 [THz] =      68.166595 [cm-1]
+ (  0.001912   0.024293     0.555643  -0.043730     0.555643  -0.043730   )
+ ( -0.000000  -0.020272     0.434565  -0.000000     0.434565   0.000000   )
+     freq (    3) =       6.247251 [THz] =     208.385879 [cm-1]
+ ( -0.000342  -0.004351     0.040811  -0.003212     0.040811  -0.003212   )
+ (  0.000000  -0.993120    -0.071912  -0.000000    -0.071912   0.000000   )
+     freq (    4) =       6.542055 [THz] =     218.219464 [cm-1]
+ (  0.078097   0.992318    -0.054499   0.004289    -0.054499   0.004289   )
+ ( -0.000000  -0.013906     0.038954  -0.000000     0.038954   0.000000   )
+     freq (    5) =       7.013659 [THz] =     233.950493 [cm-1]
+ ( -0.000000  -0.000000    -0.453374   0.035681     0.453374  -0.035681   )
+ ( -0.000000  -0.000000    -0.541460  -0.000000     0.541460   0.000000   )
+     freq (    6) =       7.024232 [THz] =     234.303168 [cm-1]
+ ( -0.007540  -0.095808    -0.447817   0.035244    -0.447817   0.035244   )
+ (  0.000000  -0.111703     0.536060   0.000000     0.536060   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0375      0.0375
+ **************************************************************************
+     freq (    1) =       2.041202 [THz] =      68.087155 [cm-1]
+ ( -0.000000  -0.000000    -0.553165   0.065471     0.553165  -0.065471   )
+ ( -0.000000   0.000000     0.435570   0.000000    -0.435570   0.000000   )
+     freq (    2) =       2.056100 [THz] =      68.584124 [cm-1]
+ (  0.004321   0.036510     0.553703  -0.065535     0.553703  -0.065535   )
+ (  0.000000  -0.030551     0.433561   0.000000     0.433561   0.000000   )
+     freq (    3) =       6.233619 [THz] =     207.931158 [cm-1]
+ ( -0.001109  -0.009370     0.059476  -0.007039     0.059476  -0.007039   )
+ (  0.000000  -0.985018    -0.106010  -0.000000    -0.106010   0.000000   )
+     freq (    4) =       6.528045 [THz] =     217.752135 [cm-1]
+ (  0.116400   0.983457    -0.078428   0.009283    -0.078428   0.009283   )
+ ( -0.000000  -0.029476     0.054404  -0.000000     0.054404   0.000000   )
+     freq (    5) =       7.013290 [THz] =     233.938161 [cm-1]
+ ( -0.000000   0.000000    -0.451735   0.053466     0.451735  -0.053466   )
+ (  0.000000   0.000000    -0.541366  -0.000000     0.541366   0.000000   )
+     freq (    6) =       7.036424 [THz] =     234.709842 [cm-1]
+ ( -0.016272  -0.137484    -0.439974   0.052074    -0.439974   0.052074   )
+ (  0.000000  -0.162973     0.529951   0.000000     0.529951   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0500
+ **************************************************************************
+     freq (    1) =       2.047129 [THz] =      68.284861 [cm-1]
+ (  0.000000   0.000000    -0.550045   0.087119     0.550045  -0.087119   )
+ (  0.000000  -0.000000     0.435731   0.000000    -0.435731   0.000000   )
+     freq (    2) =       2.073252 [THz] =      69.156226 [cm-1]
+ (  0.007730   0.048806     0.550971  -0.087265     0.550971  -0.087265   )
+ (  0.000000  -0.041000     0.432151   0.000000     0.432151   0.000000   )
+     freq (    3) =       6.215217 [THz] =     207.317337 [cm-1]
+ ( -0.002497  -0.015765     0.076288  -0.012083     0.076288  -0.012083   )
+ ( -0.000000  -0.974492    -0.138163  -0.000000    -0.138163   0.000000   )
+     freq (    4) =       6.509042 [THz] =     217.118254 [cm-1]
+ (  0.153966   0.972100    -0.099301   0.015728    -0.099301   0.015728   )
+ ( -0.000000  -0.048578     0.066104  -0.000000     0.066104   0.000000   )
+     freq (    5) =       7.012791 [THz] =     233.921530 [cm-1]
+ ( -0.000000  -0.000000    -0.449444   0.071185     0.449444  -0.071185   )
+ ( -0.000000  -0.000000    -0.541233  -0.000000     0.541233   0.000000   )
+     freq (    6) =       7.052449 [THz] =     235.244384 [cm-1]
+ ( -0.027455  -0.173343    -0.430090   0.068120    -0.430090   0.068120   )
+ (  0.000000  -0.209719     0.522485   0.000000     0.522485   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0625      0.0625
+ **************************************************************************
+     freq (    1) =       2.054577 [THz] =      68.533315 [cm-1]
+ (  0.000000   0.000000    -0.546042   0.108614     0.546042  -0.108614   )
+ ( -0.000000  -0.000000     0.435938  -0.000000    -0.435938   0.000000   )
+     freq (    2) =       2.094682 [THz] =      69.871072 [cm-1]
+ (  0.012174   0.061201     0.547427  -0.108890     0.547427  -0.108890   )
+ ( -0.000000  -0.051674     0.430331  -0.000000     0.430331   0.000000   )
+     freq (    3) =       6.192619 [THz] =     206.563548 [cm-1]
+ ( -0.004608  -0.023166     0.090960  -0.018093     0.090960  -0.018093   )
+ ( -0.000000  -0.962141    -0.168115  -0.000000    -0.168115   0.000000   )
+     freq (    4) =       6.485489 [THz] =     216.332623 [cm-1]
+ (  0.190716   0.958792    -0.117149   0.023302    -0.117149   0.023302   )
+ ( -0.000000  -0.069635     0.074034  -0.000000     0.074034   0.000000   )
+     freq (    5) =       7.012182 [THz] =     233.901220 [cm-1]
+ ( -0.000000  -0.000000    -0.446503   0.088815     0.446503  -0.088815   )
+ (  0.000000  -0.000000    -0.541061  -0.000000     0.541061   0.000000   )
+     freq (    6) =       7.071539 [THz] =     235.881140 [cm-1]
+ ( -0.040445  -0.203333    -0.418814   0.083307    -0.418814   0.083307   )
+ (  0.000000  -0.251603     0.514308   0.000000     0.514308   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0750
+ **************************************************************************
+     freq (    1) =       2.063423 [THz] =      68.828382 [cm-1]
+ ( -0.000000  -0.000000    -0.541163   0.129922     0.541163  -0.129922   )
+ ( -0.000000   0.000000     0.436191  -0.000000    -0.436191   0.000000   )
+     freq (    2) =       2.119960 [THz] =      70.714260 [cm-1]
+ (  0.017696   0.073708     0.543051  -0.130375     0.543051  -0.130375   )
+ ( -0.000000  -0.062627     0.428093  -0.000000     0.428093   0.000000   )
+     freq (    3) =       6.166442 [THz] =     205.690361 [cm-1]
+ ( -0.007527  -0.031351     0.103390  -0.024822     0.103390  -0.024822   )
+ ( -0.000000  -0.948507    -0.195812  -0.000000    -0.195812   0.000000   )
+     freq (    4) =       6.457824 [THz] =     215.409826 [cm-1]
+ (  0.226606   0.943882    -0.132309   0.031765    -0.132309   0.031765   )
+ ( -0.000000  -0.091518     0.078524  -0.000000     0.078524   0.000000   )
+     freq (    5) =       7.011486 [THz] =     233.878009 [cm-1]
+ ( -0.000000  -0.000000    -0.442915   0.106334     0.442915  -0.106334   )
+ ( -0.000000  -0.000000    -0.540851  -0.000000     0.540851   0.000000   )
+     freq (    6) =       7.092954 [THz] =     236.595479 [cm-1]
+ ( -0.054730  -0.227968    -0.406642   0.097626    -0.406642   0.097626   )
+ (  0.000000  -0.288722     0.505914   0.000000     0.505914   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0875      0.0875
+ **************************************************************************
+     freq (    1) =       2.073520 [THz] =      69.165188 [cm-1]
+ ( -0.000000  -0.000000    -0.535417   0.151003     0.535417  -0.151003   )
+ (  0.000000   0.000000     0.436493   0.000000    -0.436493   0.000000   )
+     freq (    2) =       2.148592 [THz] =      71.669312 [cm-1]
+ (  0.024348   0.086330     0.537817  -0.151680     0.537817  -0.151680   )
+ (  0.000000  -0.073913     0.425431   0.000000     0.425431   0.000000   )
+     freq (    3) =       6.137298 [THz] =     204.718219 [cm-1]
+ ( -0.011362  -0.040286     0.113639  -0.032049     0.113639  -0.032049   )
+ ( -0.000000  -0.934008    -0.221354   0.000000    -0.221354   0.000000   )
+     freq (    4) =       6.426470 [THz] =     214.363982 [cm-1]
+ ( -0.261592  -0.927535     0.145221  -0.040956     0.145221  -0.040956   )
+ (  0.000000   0.113622    -0.080019  -0.000000    -0.080019   0.000000   )
+     freq (    5) =       7.010731 [THz] =     233.852820 [cm-1]
+ ( -0.000000  -0.000000    -0.438685   0.123722     0.438685  -0.123722   )
+ ( -0.000000   0.000000    -0.540600  -0.000000     0.540600   0.000000   )
+     freq (    6) =       7.116039 [THz] =     237.365514 [cm-1]
+ ( -0.069944  -0.248004    -0.393909   0.111094    -0.393909   0.111094   )
+ (  0.000000  -0.321422     0.497633   0.000000     0.497633   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.1000
+ **************************************************************************
+     freq (    1) =       2.084703 [THz] =      69.538209 [cm-1]
+ (  0.000000   0.000000    -0.528815   0.171822     0.528815  -0.171822   )
+ (  0.000000  -0.000000     0.436843   0.000000    -0.436843   0.000000   )
+     freq (    2) =       2.180037 [THz] =      72.718200 [cm-1]
+ (  0.032187   0.099061     0.531695  -0.172758     0.531695  -0.172758   )
+ (  0.000000  -0.085580     0.422337   0.000000     0.422337   0.000000   )
+     freq (    3) =       6.105763 [THz] =     203.666341 [cm-1]
+ ( -0.016290  -0.050135     0.121894  -0.039606     0.121894  -0.039606   )
+ ( -0.000000  -0.918901    -0.244937   0.000000    -0.244937   0.000000   )
+     freq (    4) =       6.391849 [THz] =     213.209139 [cm-1]
+ ( -0.295606  -0.909783     0.156297  -0.050784     0.156297  -0.050784   )
+ (  0.000000   0.135802    -0.078912   0.000000    -0.078912   0.000000   )
+     freq (    5) =       7.009948 [THz] =     233.826702 [cm-1]
+ ( -0.000000  -0.000000    -0.433817   0.140956     0.433817  -0.140956   )
+ ( -0.000000  -0.000000    -0.540309  -0.000000     0.540309   0.000000   )
+     freq (    6) =       7.140237 [THz] =     238.172671 [cm-1]
+ ( -0.085847  -0.264210    -0.380818   0.123735    -0.380818   0.123735   )
+ (  0.000000  -0.350162     0.489665   0.000000     0.489665   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1125      0.1125
+ **************************************************************************
+     freq (    1) =       2.096790 [THz] =      69.941376 [cm-1]
+ (  0.000000   0.000000    -0.521368   0.192343     0.521368  -0.192343   )
+ ( -0.000000  -0.000000     0.437241  -0.000000    -0.437241   0.000000   )
+     freq (    2) =       2.213723 [THz] =      73.841858 [cm-1]
+ (  0.041276   0.111882     0.524653  -0.193555     0.524653  -0.193555   )
+ ( -0.000000  -0.097674     0.418802  -0.000000     0.418802   0.000000   )
+     freq (    3) =       6.072357 [THz] =     202.552024 [cm-1]
+ ( -0.022592  -0.061237     0.128438  -0.047383     0.128438  -0.047383   )
+ ( -0.000000  -0.903268    -0.266799  -0.000000    -0.266799   0.000000   )
+     freq (    4) =       6.354398 [THz] =     211.959909 [cm-1]
+ (  0.328547   0.890566    -0.165863   0.061190    -0.165863   0.061190   )
+ ( -0.000000  -0.158280     0.075458  -0.000000     0.075458   0.000000   )
+     freq (    5) =       7.009172 [THz] =     233.800817 [cm-1]
+ (  0.000000   0.000000    -0.428318   0.158015     0.428318  -0.158015   )
+ (  0.000000   0.000000    -0.539977   0.000000     0.539977   0.000000   )
+     freq (    6) =       7.165088 [THz] =     239.001604 [cm-1]
+ ( -0.102289  -0.277267    -0.367486   0.135573    -0.367486   0.135573   )
+ (  0.000000  -0.375423     0.482112  -0.000000     0.482112   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.1250
+ **************************************************************************
+     freq (    1) =       2.109585 [THz] =      70.368181 [cm-1]
+ ( -0.000000  -0.000000    -0.513089   0.212528     0.513089  -0.212528   )
+ (  0.000000   0.000000     0.437689   0.000000    -0.437689   0.000000   )
+     freq (    2) =       2.249063 [THz] =      75.020668 [cm-1]
+ (  0.051677   0.124760     0.516657  -0.214006     0.516657  -0.214006   )
+ (  0.000000  -0.110235     0.414817   0.000000     0.414817   0.000000   )
+     freq (    3) =       6.037526 [THz] =     201.390184 [cm-1]
+ ( -0.030682  -0.074072     0.133628  -0.055350     0.133628  -0.055350   )
+ ( -0.000000  -0.887013    -0.287175   0.000000    -0.287175   0.000000   )
+     freq (    4) =       6.314591 [THz] =     210.632092 [cm-1]
+ (  0.360265   0.869757    -0.174130   0.072127    -0.174130   0.072127   )
+ ( -0.000000  -0.181545     0.069737  -0.000000     0.069737   0.000000   )
+     freq (    5) =       7.008440 [THz] =     233.776411 [cm-1]
+ ( -0.000000  -0.000000    -0.422191   0.174877     0.422191  -0.174877   )
+ ( -0.000000  -0.000000    -0.539604  -0.000000     0.539604   0.000000   )
+     freq (    6) =       7.190217 [THz] =     239.839830 [cm-1]
+ ( -0.119182  -0.287732    -0.353974   0.146621    -0.353974   0.146621   )
+ (  0.000000  -0.397662     0.475017   0.000000     0.475017   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1375      0.1375
+ **************************************************************************
+     freq (    1) =       2.122884 [THz] =      70.811776 [cm-1]
+ ( -0.000000   0.000000    -0.503994   0.232344     0.503994  -0.232344   )
+ (  0.000000  -0.000000     0.438185   0.000000    -0.438185   0.000000   )
+     freq (    2) =       2.285465 [THz] =      76.234917 [cm-1]
+ (  0.063454   0.137643     0.507673  -0.234040     0.507673  -0.234040   )
+ (  0.000000  -0.123298     0.410373   0.000000     0.410373   0.000000   )
+     freq (    3) =       6.001635 [THz] =     200.192981 [cm-1]
+ (  0.041127   0.089211    -0.137877   0.063562    -0.137877   0.063562   )
+ ( -0.000000   0.869861     0.306261   0.000000     0.306261   0.000000   )
+     freq (    4) =       6.272956 [THz] =     209.243274 [cm-1]
+ (  0.390550   0.847168    -0.181207   0.083537    -0.181207   0.083537   )
+ (  0.000000  -0.206271     0.061650  -0.000000     0.061650   0.000000   )
+     freq (    5) =       7.007793 [THz] =     233.754801 [cm-1]
+ ( -0.000000   0.000000    -0.415445   0.191523     0.415445  -0.191523   )
+ ( -0.000000   0.000000    -0.539189  -0.000000     0.539189   0.000000   )
+     freq (    6) =       7.215323 [THz] =     240.677278 [cm-1]
+ ( -0.136475  -0.296037    -0.340308   0.156884    -0.340308   0.156884   )
+ (  0.000000  -0.417288     0.468381   0.000000     0.468381   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.1500
+ **************************************************************************
+     freq (    1) =       2.136473 [THz] =      71.265081 [cm-1]
+ (  0.000000   0.000000    -0.494099   0.251756     0.494099  -0.251756   )
+ ( -0.000000  -0.000000     0.438731  -0.000000    -0.438731   0.000000   )
+     freq (    2) =       2.322349 [THz] =      77.465213 [cm-1]
+ (  0.076664   0.150461     0.497666  -0.253574     0.497666  -0.253574   )
+ ( -0.000000  -0.136887     0.405464  -0.000000     0.405464   0.000000   )
+     freq (    3) =       5.964952 [THz] =     198.969372 [cm-1]
+ ( -0.054649  -0.107255     0.141642  -0.072170     0.141642  -0.072170   )
+ ( -0.000000  -0.851347    -0.324173  -0.000000    -0.324173   0.000000   )
+     freq (    4) =       6.230089 [THz] =     207.813412 [cm-1]
+ (  0.419105   0.822540    -0.187103   0.095334    -0.187103   0.095334   )
+ ( -0.000000  -0.233238     0.050930  -0.000000     0.050930   0.000000   )
+     freq (    5) =       7.007269 [THz] =     233.737347 [cm-1]
+ ( -0.000000  -0.000000    -0.408085   0.207930     0.408085  -0.207930   )
+ ( -0.000000  -0.000000    -0.538732  -0.000000     0.538732   0.000000   )
+     freq (    6) =       7.240164 [THz] =     241.505872 [cm-1]
+ ( -0.154137  -0.302510    -0.326504   0.166362    -0.326504   0.166362   )
+ (  0.000000  -0.434661     0.462189   0.000000     0.462189   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1625      0.1625
+ **************************************************************************
+     freq (    1) =       2.150138 [THz] =      71.720879 [cm-1]
+ (  0.000000   0.000000    -0.483423   0.270730     0.483423  -0.270730   )
+ ( -0.000000  -0.000000     0.439326  -0.000000    -0.439326   0.000000   )
+     freq (    2) =       2.359153 [THz] =      78.692869 [cm-1]
+ (  0.091355   0.163125     0.486609  -0.272514     0.486609  -0.272514   )
+ ( -0.000000  -0.151019     0.400084  -0.000000     0.400084   0.000000   )
+     freq (    3) =       5.927632 [THz] =     197.724532 [cm-1]
+ ( -0.072086  -0.128720     0.145400  -0.081428     0.145400  -0.081428   )
+ ( -0.000000  -0.830813    -0.340912  -0.000000    -0.340912   0.000000   )
+     freq (    4) =       6.186681 [THz] =     206.365455 [cm-1]
+ (  0.445516   0.795526    -0.191753   0.107387    -0.191753   0.107387   )
+ (  0.000000  -0.263227     0.037169  -0.000000     0.037169   0.000000   )
+     freq (    5) =       7.006912 [THz] =     233.725431 [cm-1]
+ ( -0.000000  -0.000000    -0.400118   0.224077     0.400118  -0.224077   )
+ (  0.000000  -0.000000    -0.538233  -0.000000     0.538233   0.000000   )
+     freq (    6) =       7.264546 [THz] =     242.319158 [cm-1]
+ ( -0.172148  -0.307392    -0.312569   0.175047    -0.312569   0.175047   )
+ ( -0.000000  -0.450085     0.456408   0.000000     0.456408   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.1750
+ **************************************************************************
+     freq (    1) =       2.163659 [THz] =      72.171905 [cm-1]
+ (  0.000000   0.000000    -0.471986   0.289233     0.471986  -0.289233   )
+ ( -0.000000  -0.000000     0.439970  -0.000000    -0.439970   0.000000   )
+     freq (    2) =       2.395350 [THz] =      79.900264 [cm-1]
+ (  0.107561   0.175523     0.474474  -0.290758     0.474474  -0.290758   )
+ ( -0.000000  -0.165696     0.394230  -0.000000     0.394230   0.000000   )
+     freq (    3) =       5.889697 [THz] =     196.459156 [cm-1]
+ (  0.094286   0.153861    -0.149599   0.091674    -0.149599   0.091674   )
+ (  0.000000   0.807432     0.356316   0.000000     0.356316   0.000000   )
+     freq (    4) =       6.143526 [THz] =     204.925954 [cm-1]
+ (  0.469215   0.765690    -0.195034   0.119517    -0.195034   0.119517   )
+ ( -0.000000  -0.296848     0.019899  -0.000000     0.019899   0.000000   )
+     freq (    5) =       7.006762 [THz] =     233.720432 [cm-1]
+ ( -0.000000   0.000000    -0.391553   0.239944     0.391553  -0.239944   )
+ ( -0.000000  -0.000000    -0.537692  -0.000000     0.537692   0.000000   )
+     freq (    6) =       7.288315 [THz] =     243.112006 [cm-1]
+ ( -0.190493  -0.310857    -0.298509   0.182926    -0.298509   0.182926   )
+ (  0.000000  -0.463821     0.451005   0.000000     0.451005   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1875      0.1875
+ **************************************************************************
+     freq (    1) =       2.176821 [THz] =      72.610937 [cm-1]
+ (  0.000000   0.000000     0.459809  -0.307235    -0.459809   0.307235   )
+ ( -0.000000   0.000000    -0.440661   0.000000     0.440661   0.000000   )
+     freq (    2) =       2.430453 [THz] =      81.071186 [cm-1]
+ (  0.125298   0.187521     0.461249  -0.308196     0.461249  -0.308196   )
+ ( -0.000000  -0.180907     0.387904  -0.000000     0.387904   0.000000   )
+     freq (    3) =       5.851016 [THz] =     195.168899 [cm-1]
+ ( -0.121888  -0.182418     0.154584  -0.103289     0.154584  -0.103289   )
+ ( -0.000000  -0.780312    -0.370034   0.000000    -0.370034   0.000000   )
+     freq (    4) =       6.101540 [THz] =     203.525451 [cm-1]
+ ( -0.489468  -0.732541     0.196812  -0.131506     0.196812  -0.131506   )
+ ( -0.000000   0.334280     0.001273   0.000000     0.001273   0.000000   )
+     freq (    5) =       7.006860 [THz] =     233.723707 [cm-1]
+ ( -0.000000  -0.000000    -0.382397   0.255509     0.382397  -0.255509   )
+ ( -0.000000  -0.000000    -0.537111  -0.000000     0.537111   0.000000   )
+     freq (    6) =       7.311349 [THz] =     243.880363 [cm-1]
+ ( -0.209158  -0.313027    -0.284334   0.189986    -0.284334   0.189986   )
+ (  0.000000  -0.476084     0.445943   0.000000     0.445943   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.2000
+ **************************************************************************
+     freq (    1) =       2.189410 [THz] =      73.030866 [cm-1]
+ (  0.000000   0.000000     0.446917  -0.324704    -0.446917   0.324704   )
+ (  0.000000  -0.000000    -0.441398   0.000000     0.441398   0.000000   )
+     freq (    2) =       2.464029 [THz] =      82.191155 [cm-1]
+ (  0.144557   0.198965     0.446926  -0.324711     0.446926  -0.324711   )
+ ( -0.000000  -0.196627     0.381113  -0.000000     0.381113   0.000000   )
+     freq (    3) =       5.811310 [THz] =     193.844434 [cm-1]
+ (  0.154986   0.213320    -0.160479   0.116594    -0.160479   0.116594   )
+ (  0.000000   0.748740     0.381554  -0.000000     0.381554   0.000000   )
+     freq (    4) =       6.061747 [THz] =     202.198132 [cm-1]
+ ( -0.505438  -0.695675     0.197002  -0.143131     0.197002  -0.143131   )
+ ( -0.000000   0.374937     0.026440   0.000000     0.026440   0.000000   )
+     freq (    5) =       7.007246 [THz] =     233.736563 [cm-1]
+ (  0.000000   0.000000    -0.372658   0.270752     0.372658  -0.270752   )
+ (  0.000000   0.000000    -0.536488   0.000000     0.536488   0.000000   )
+     freq (    6) =       7.333555 [THz] =     244.621054 [cm-1]
+ ( -0.228124  -0.313985    -0.270059   0.196209    -0.270059   0.196209   )
+ (  0.000000  -0.487058     0.441185  -0.000000     0.441185   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2125      0.2125
+ **************************************************************************
+     freq (    1) =       2.201219 [THz] =      73.424767 [cm-1]
+ ( -0.000000  -0.000000     0.433334  -0.341613    -0.433334   0.341613   )
+ ( -0.000000   0.000000    -0.442180  -0.000000     0.442180   0.000000   )
+     freq (    2) =       2.495704 [THz] =      83.247728 [cm-1]
+ (  0.165301   0.209684     0.431517  -0.340181     0.431517  -0.340181   )
+ (  0.000000  -0.212812     0.373871   0.000000     0.373871   0.000000   )
+     freq (    3) =       5.770190 [THz] =     192.472823 [cm-1]
+ (  0.192770   0.244527    -0.167087   0.131721    -0.167087   0.131721   )
+ (  0.000000   0.712586     0.390340   0.000000     0.390340   0.000000   )
+     freq (    4) =       6.025232 [THz] =     200.980117 [cm-1]
+ ( -0.516374  -0.655018     0.195663  -0.154248     0.195663  -0.154248   )
+ ( -0.000000   0.417223     0.055141  -0.000000     0.055141   0.000000   )
+     freq (    5) =       7.007956 [THz] =     233.760244 [cm-1]
+ ( -0.000000  -0.000000    -0.362345   0.285650     0.362345  -0.285650   )
+ ( -0.000000  -0.000000    -0.535827  -0.000000     0.535827   0.000000   )
+     freq (    6) =       7.354857 [THz] =     245.331623 [cm-1]
+ ( -0.247369  -0.313786    -0.255702   0.201579    -0.255702   0.201579   )
+ (  0.000000  -0.496892     0.436697   0.000000     0.436697   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.2250
+ **************************************************************************
+     freq (    1) =       2.212047 [THz] =      73.785959 [cm-1]
+ (  0.000000   0.000000     0.419085  -0.357932    -0.419085   0.357932   )
+ (  0.000000  -0.000000    -0.443003   0.000000     0.443003   0.000000   )
+     freq (    2) =       2.525175 [THz] =      84.230768 [cm-1]
+ (  0.187462   0.219490     0.415049  -0.354485     0.415049  -0.354485   )
+ ( -0.000000  -0.229406     0.366200  -0.000000     0.366200   0.000000   )
+     freq (    3) =       5.727252 [THz] =     191.040548 [cm-1]
+ (  0.233393   0.273268    -0.173878   0.148506    -0.173878   0.148506   )
+ (  0.000000   0.672696     0.396079   0.000000     0.396079   0.000000   )
+     freq (    4) =       5.993032 [THz] =     199.906043 [cm-1]
+ ( -0.521927  -0.611099     0.193068  -0.164895     0.193068  -0.164895   )
+ ( -0.000000   0.458639     0.086224   0.000000     0.086224   0.000000   )
+     freq (    5) =       7.009025 [THz] =     233.795908 [cm-1]
+ (  0.000000   0.000000    -0.351467   0.300181     0.351467  -0.300181   )
+ (  0.000000   0.000000    -0.535128  -0.000000     0.535128   0.000000   )
+     freq (    6) =       7.375200 [THz] =     246.010203 [cm-1]
+ ( -0.266868  -0.312462    -0.241287   0.206079    -0.241287   0.206079   )
+ (  0.000000  -0.505714     0.432450   0.000000     0.432450   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2375      0.2375
+ **************************************************************************
+     freq (    1) =       2.221704 [THz] =      74.108056 [cm-1]
+ (  0.000000   0.000000     0.404199  -0.373638    -0.404199   0.373638   )
+ ( -0.000000  -0.000000    -0.443867  -0.000000     0.443867   0.000000   )
+     freq (    2) =       2.552213 [THz] =      85.132659 [cm-1]
+ (  0.210935   0.228188     0.397567  -0.367507     0.397567  -0.367507   )
+ (  0.000000  -0.246333     0.358130   0.000000     0.358130   0.000000   )
+     freq (    3) =       5.682188 [THz] =     189.537399 [cm-1]
+ (  0.274320   0.296757    -0.180125   0.166506    -0.180125   0.166506   )
+ (  0.000000   0.630928     0.398920   0.000000     0.398920   0.000000   )
+     freq (    4) =       5.966013 [THz] =     199.004778 [cm-1]
+ ( -0.522395  -0.565124     0.189688  -0.175346     0.189688  -0.175346   )
+ ( -0.000000   0.496412     0.118021   0.000000     0.118021   0.000000   )
+     freq (    5) =       7.010485 [THz] =     233.844609 [cm-1]
+ ( -0.000000  -0.000000    -0.340035   0.314325     0.340035  -0.314325   )
+ (  0.000000   0.000000    -0.534393   0.000000     0.534393   0.000000   )
+     freq (    6) =       7.394543 [THz] =     246.655408 [cm-1]
+ ( -0.286586  -0.310027    -0.226844   0.209692    -0.226844   0.209692   )
+ (  0.000000  -0.513628     0.428415  -0.000000     0.428415   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.2500
+ **************************************************************************
+     freq (    1) =       2.230007 [THz] =      74.385015 [cm-1]
+ (  0.000000   0.000000     0.388704  -0.388704    -0.388704   0.388704   )
+ (  0.000000  -0.000000    -0.444767   0.000000     0.444767   0.000000   )
+     freq (    2) =       2.576670 [THz] =      85.948443 [cm-1]
+ (  0.235583   0.235583     0.379138  -0.379138     0.379138  -0.379138   )
+ ( -0.000000  -0.263510     0.349700  -0.000000     0.349700   0.000000   )
+     freq (    3) =       5.634879 [THz] =     187.959334 [cm-1]
+ ( -0.313053  -0.313053     0.185145  -0.185145     0.185145  -0.185145   )
+ (  0.000000  -0.589644    -0.399500  -0.000000    -0.399500   0.000000   )
+     freq (    4) =       5.944771 [THz] =     198.296210 [cm-1]
+ ( -0.518688  -0.518688     0.186054  -0.186054     0.186054  -0.186054   )
+ (  0.000000   0.528367     0.148810  -0.000000     0.148810   0.000000   )
+     freq (    5) =       7.012364 [THz] =     233.907290 [cm-1]
+ (  0.000000   0.000000    -0.328058   0.328058     0.328058  -0.328058   )
+ ( -0.000000   0.000000    -0.533625  -0.000000     0.533625   0.000000   )
+     freq (    6) =       7.412856 [THz] =     247.266244 [cm-1]
+ ( -0.306485  -0.306485    -0.212406   0.212406    -0.212406   0.212406   )
+ (  0.000000  -0.520723     0.424568   0.000000     0.424568   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.2750
+ **************************************************************************
+     freq (    1) =       2.241886 [THz] =      74.781271 [cm-1]
+ (  0.000000   0.000000     0.356009  -0.416833    -0.356009   0.416833   )
+ ( -0.000000  -0.000000    -0.446664  -0.000000     0.446664   0.000000   )
+     freq (    2) =       2.617644 [THz] =      87.315216 [cm-1]
+ (  0.287695   0.245715     0.339808  -0.397865     0.339808  -0.397865   )
+ (  0.000000  -0.298227     0.331952   0.000000     0.331952   0.000000   )
+     freq (    3) =       5.533947 [THz] =     184.592595 [cm-1]
+ ( -0.377685  -0.322574     0.189925  -0.222373     0.189925  -0.222373   )
+ (  0.000000  -0.516139    -0.397403  -0.000000    -0.397403   0.000000   )
+     freq (    4) =       5.920620 [THz] =     197.490642 [cm-1]
+ ( -0.503343  -0.429896     0.179390  -0.210039     0.179390  -0.210039   )
+ (  0.000000   0.571856     0.202759  -0.000000     0.202759   0.000000   )
+     freq (    5) =       7.017473 [THz] =     234.077719 [cm-1]
+ ( -0.000000  -0.000000    -0.302518   0.354203     0.302518  -0.354203   )
+ ( -0.000000  -0.000000    -0.531999  -0.000000     0.531999   0.000000   )
+     freq (    6) =       7.446315 [THz] =     248.382346 [cm-1]
+ ( -0.346641  -0.296059    -0.183699   0.215084    -0.183699   0.215084   )
+ (  0.000000  -0.532730     0.417358   0.000000     0.417358   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.3000
+ **************************************************************************
+     freq (    1) =       2.246480 [THz] =      74.934495 [cm-1]
+ (  0.000000   0.000000    -0.321246   0.442157     0.321246  -0.442157   )
+ (  0.000000  -0.000000     0.448663   0.000000    -0.448663   0.000000   )
+     freq (    2) =       2.648441 [THz] =      88.342487 [cm-1]
+ (  0.342135   0.248576     0.297973  -0.410125     0.297973  -0.410125   )
+ (  0.000000  -0.332768     0.313399   0.000000     0.313399   0.000000   )
+     freq (    3) =       5.426189 [THz] =     180.998175 [cm-1]
+ (  0.422777   0.307166    -0.187277   0.257765    -0.187277   0.257765   )
+ ( -0.000000   0.459490     0.395441  -0.000000     0.395441   0.000000   )
+     freq (    4) =       5.920706 [THz] =     197.493480 [cm-1]
+ ( -0.482678  -0.350686     0.173533  -0.238847     0.173533  -0.238847   )
+ ( -0.000000   0.591828     0.244395  -0.000000     0.244395   0.000000   )
+     freq (    5) =       7.024500 [THz] =     234.312098 [cm-1]
+ ( -0.000000  -0.000000    -0.274949   0.378434     0.274949  -0.378434   )
+ (  0.000000  -0.000000    -0.530274   0.000000     0.530274   0.000000   )
+     freq (    6) =       7.475499 [THz] =     249.355804 [cm-1]
+ ( -0.386893  -0.281094    -0.155512   0.214044    -0.155512   0.214044   )
+ (  0.000000  -0.542190     0.410690  -0.000000     0.410690   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.3250
+ **************************************************************************
+     freq (    1) =       2.242800 [THz] =      74.811747 [cm-1]
+ ( -0.000000  -0.000000    -0.284674   0.464545     0.284674  -0.464545   )
+ (  0.000000   0.000000     0.450731   0.000000    -0.450731   0.000000   )
+     freq (    2) =       2.670318 [THz] =      89.072216 [cm-1]
+ (  0.397016   0.243292     0.254753  -0.415720     0.254753  -0.415720   )
+ (  0.000000  -0.366408     0.294524   0.000000     0.294524   0.000000   )
+     freq (    3) =       5.313443 [THz] =     177.237396 [cm-1]
+ ( -0.451040  -0.276398     0.178088  -0.290613     0.178088  -0.290613   )
+ ( -0.000000  -0.417748    -0.395798  -0.000000    -0.395798   0.000000   )
+     freq (    4) =       5.943500 [THz] =     198.253822 [cm-1]
+ (  0.458652   0.281063    -0.166616   0.271892    -0.166616   0.271892   )
+ (  0.000000  -0.596322    -0.275382  -0.000000    -0.275382   0.000000   )
+     freq (    5) =       7.033525 [THz] =     234.613143 [cm-1]
+ ( -0.000000  -0.000000    -0.245469   0.400570     0.245469  -0.400570   )
+ (  0.000000  -0.000000    -0.528478   0.000000     0.528478   0.000000   )
+     freq (    6) =       7.500401 [THz] =     250.186453 [cm-1]
+ (  0.426701   0.261482     0.128236  -0.209262     0.128236  -0.209262   )
+ (  0.000000   0.549423    -0.404486   0.000000    -0.404486   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.3500
+ **************************************************************************
+     freq (    1) =       2.230091 [THz] =      74.387814 [cm-1]
+ (  0.000000   0.000000    -0.246555   0.483892     0.246555  -0.483892   )
+ (  0.000000  -0.000000     0.452834   0.000000    -0.452834   0.000000   )
+     freq (    2) =       2.684936 [THz] =      89.559819 [cm-1]
+ ( -0.450470  -0.229526    -0.211341   0.414781    -0.211341   0.414781   )
+ ( -0.000000   0.398588    -0.275777  -0.000000    -0.275777   0.000000   )
+     freq (    3) =       5.196849 [THz] =     173.348214 [cm-1]
+ ( -0.466258  -0.237570     0.163452  -0.320792     0.163452  -0.320792   )
+ ( -0.000000  -0.386463    -0.398473  -0.000000    -0.398473   0.000000   )
+     freq (    4) =       5.986877 [THz] =     199.700709 [cm-1]
+ (  0.430750   0.219478    -0.156572   0.307290    -0.156572   0.307290   )
+ (  0.000000  -0.591905    -0.298369  -0.000000    -0.298369   0.000000   )
+     freq (    5) =       7.044568 [THz] =     234.981496 [cm-1]
+ ( -0.000000  -0.000000     0.214220  -0.420431    -0.214220   0.420431   )
+ ( -0.000000  -0.000000     0.526638   0.000000    -0.526638   0.000000   )
+     freq (    6) =       7.521062 [THz] =     250.875636 [cm-1]
+ ( -0.465432  -0.237149    -0.102292   0.200760    -0.102292   0.200760   )
+ ( -0.000000  -0.554663     0.398714  -0.000000     0.398714   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.3750
+ **************************************************************************
+     freq (    1) =       2.207833 [THz] =      73.645387 [cm-1]
+ ( -0.000000  -0.000000    -0.207155   0.500116     0.207155  -0.500116   )
+ (  0.000000   0.000000     0.454941   0.000000    -0.454941   0.000000   )
+     freq (    2) =       2.693769 [THz] =      89.854470 [cm-1]
+ ( -0.500844  -0.207456    -0.168876   0.407702    -0.168876   0.407702   )
+ ( -0.000000   0.428952    -0.257524  -0.000000    -0.257524   0.000000   )
+     freq (    3) =       5.076904 [THz] =     169.347299 [cm-1]
+ (  0.471351   0.195240    -0.144256   0.348265    -0.144256   0.348265   )
+ ( -0.000000   0.361916     0.402821  -0.000000     0.402821   0.000000   )
+     freq (    4) =       6.048441 [THz] =     201.754283 [cm-1]
+ (  0.398146   0.164918    -0.142064   0.342972    -0.142064   0.342972   )
+ ( -0.000000  -0.582766    -0.315469  -0.000000    -0.315469   0.000000   )
+     freq (    5) =       7.057595 [THz] =     235.416041 [cm-1]
+ ( -0.000000  -0.000000     0.181363  -0.437849    -0.181363   0.437849   )
+ (  0.000000  -0.000000     0.524781   0.000000    -0.524781   0.000000   )
+     freq (    6) =       7.537554 [THz] =     251.425732 [cm-1]
+ ( -0.502383  -0.208094    -0.078122   0.188603    -0.078122   0.188603   )
+ (  0.000000  -0.558082     0.393386  -0.000000     0.393386   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.4000
+ **************************************************************************
+     freq (    1) =       2.175744 [THz] =      72.575007 [cm-1]
+ (  0.000000   0.000000    -0.166734   0.513154     0.166734  -0.513154   )
+ (  0.000000  -0.000000     0.457026   0.000000    -0.457026   0.000000   )
+     freq (    2) =       2.697603 [THz] =      89.982360 [cm-1]
+ ( -0.546802  -0.177667    -0.128359   0.395050    -0.128359   0.395050   )
+ ( -0.000000   0.457311    -0.240029  -0.000000    -0.240029   0.000000   )
+     freq (    3) =       4.953715 [THz] =     165.238157 [cm-1]
+ (  0.468310   0.152163    -0.121184   0.372967    -0.121184   0.372967   )
+ (  0.000000   0.341634     0.408190   0.000000     0.408190   0.000000   )
+     freq (    4) =       6.125701 [THz] =     204.331403 [cm-1]
+ ( -0.360427  -0.117110     0.122539  -0.377137     0.122539  -0.377137   )
+ ( -0.000000   0.571441     0.328128  -0.000000     0.328128   0.000000   )
+     freq (    5) =       7.072534 [THz] =     235.914339 [cm-1]
+ (  0.000000   0.000000     0.147081  -0.452669    -0.147081   0.452669   )
+ ( -0.000000   0.000000     0.522932  -0.000000    -0.522932   0.000000   )
+     freq (    6) =       7.549982 [THz] =     251.840277 [cm-1]
+ ( -0.536804  -0.174418    -0.056173   0.172883    -0.056173   0.172883   )
+ (  0.000000  -0.559800     0.388559  -0.000000     0.388559   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.4250
+ **************************************************************************
+     freq (    1) =       2.133768 [THz] =      71.174837 [cm-1]
+ ( -0.000000  -0.000000     0.125553  -0.522964    -0.125553   0.522964   )
+ (  0.000000   0.000000    -0.459069  -0.000000     0.459069   0.000000   )
+     freq (    2) =       2.696272 [THz] =      89.937956 [cm-1]
+ ( -0.587335  -0.141007    -0.090628   0.377492    -0.090628   0.377492   )
+ ( -0.000000   0.483583    -0.223467  -0.000000    -0.223467   0.000000   )
+     freq (    3) =       4.827181 [THz] =     161.017424 [cm-1]
+ ( -0.458482  -0.110072     0.094782  -0.394796     0.094782  -0.394796   )
+ ( -0.000000  -0.324119    -0.414083  -0.000000    -0.414083   0.000000   )
+     freq (    4) =       6.216199 [THz] =     207.350083 [cm-1]
+ ( -0.317622  -0.076254     0.098035  -0.408347     0.098035  -0.408347   )
+ ( -0.000000   0.559516     0.337288   0.000000     0.337288   0.000000   )
+     freq (    5) =       7.089287 [THz] =     236.473153 [cm-1]
+ ( -0.000000  -0.000000     0.111578  -0.464757    -0.111578   0.464757   )
+ ( -0.000000  -0.000000     0.521106   0.000000    -0.521106   0.000000   )
+     freq (    6) =       7.558508 [THz] =     252.124700 [cm-1]
+ ( -0.567923  -0.136346    -0.036901   0.153702    -0.036901   0.153702   )
+ (  0.000000  -0.559879     0.384342   0.000000     0.384342   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.4500
+ **************************************************************************
+     freq (    1) =       2.082069 [THz] =      69.450340 [cm-1]
+ (  0.000000  -0.000000     0.083867  -0.529516    -0.083867   0.529516   )
+ ( -0.000000   0.000000    -0.461063  -0.000000     0.461063   0.000000   )
+     freq (    2) =       2.688665 [THz] =      89.684221 [cm-1]
+ ( -0.621722  -0.098471    -0.056347   0.355760    -0.056347   0.355760   )
+ (  0.000000   0.507738    -0.207950  -0.000000    -0.207950   0.000000   )
+     freq (    3) =       4.697103 [THz] =     156.678475 [cm-1]
+ ( -0.442825  -0.070137     0.065510  -0.413615     0.065510  -0.413615   )
+ ( -0.000000  -0.308503    -0.420164   0.000000    -0.420164   0.000000   )
+     freq (    4) =       6.317578 [THz] =     210.731717 [cm-1]
+ (  0.270055   0.042773    -0.068976   0.435496    -0.068976   0.435496   )
+ ( -0.000000  -0.548104    -0.343506  -0.000000    -0.343506   0.000000   )
+     freq (    5) =       7.107749 [THz] =     237.088998 [cm-1]
+ (  0.000000   0.000000     0.075075  -0.474002    -0.075075   0.474002   )
+ ( -0.000000   0.000000     0.519313   0.000000    -0.519313   0.000000   )
+     freq (    6) =       7.563394 [THz] =     252.287657 [cm-1]
+ ( -0.594971  -0.094234    -0.020770   0.131138    -0.020770   0.131138   )
+ ( -0.000000  -0.558295     0.380906  -0.000000     0.380906   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.4750
+ **************************************************************************
+     freq (    1) =       2.021006 [THz] =      67.413514 [cm-1]
+ (  0.000000   0.000000    -0.041932   0.532792     0.041932  -0.532792   )
+ (  0.000000  -0.000000     0.463005   0.000000    -0.463005   0.000000   )
+     freq (    2) =       2.672956 [THz] =      89.160201 [cm-1]
+ ( -0.649473  -0.051115    -0.026022   0.330635    -0.026022   0.330635   )
+ ( -0.000000   0.529765    -0.193556  -0.000000    -0.193556   0.000000   )
+     freq (    3) =       4.563227 [THz] =     152.212859 [cm-1]
+ ( -0.422094  -0.033219     0.033783  -0.429250     0.033783  -0.429250   )
+ (  0.000000  -0.294286    -0.426225   0.000000    -0.426225   0.000000   )
+     freq (    4) =       6.427572 [THz] =     214.400711 [cm-1]
+ ( -0.218164  -0.017170     0.036025  -0.457740     0.036025  -0.457740   )
+ ( -0.000000   0.538151     0.347028  -0.000000     0.347028   0.000000   )
+     freq (    5) =       7.127821 [THz] =     237.758520 [cm-1]
+ (  0.000000   0.000000     0.037802  -0.480322    -0.037802   0.480322   )
+ (  0.000000   0.000000     0.517554  -0.000000    -0.517554   0.000000   )
+     freq (    6) =       7.565049 [THz] =     252.342889 [cm-1]
+ ( -0.617192  -0.048574    -0.008279   0.105200    -0.008279   0.105200   )
+ (  0.000000  -0.554884     0.378515  -0.000000     0.378515   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =       1.951128 [THz] =      65.082625 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.532787    -0.000000  -0.532787   )
+ ( -0.000000  -0.000000     0.464906   0.000000    -0.464906   0.000000   )
+     freq (    2) =       2.646965 [THz] =      88.293256 [cm-1]
+ ( -0.670279   0.000000    -0.000000   0.302943     0.000000   0.302943   )
+ (  0.000000   0.549671    -0.180330   0.000000    -0.180330   0.000000   )
+     freq (    3) =       4.425252 [THz] =     147.610520 [cm-1]
+ ( -0.396976  -0.000000    -0.000000  -0.441500     0.000000  -0.441500   )
+ ( -0.000000  -0.281159    -0.432154   0.000000    -0.432154   0.000000   )
+     freq (    4) =       6.543932 [THz] =     218.282074 [cm-1]
+ (  0.162314   0.000000    -0.000000   0.474412    -0.000000   0.474412   )
+ (  0.000000  -0.530655    -0.347798  -0.000000    -0.347798   0.000000   )
+     freq (    5) =       7.149419 [THz] =     238.478939 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.483661     0.000000   0.483661   )
+ ( -0.000000  -0.000000     0.515821   0.000000    -0.515821   0.000000   )
+     freq (    6) =       7.564109 [THz] =     252.311506 [cm-1]
+ ( -0.633826   0.000000    -0.000000   0.075765     0.000000   0.075765   )
+ ( -0.000000  -0.549259     0.377557   0.000000     0.377557   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =       1.873141 [THz] =      62.481274 [cm-1]
+ ( -0.000000   0.000000     0.041673   0.529508    -0.041673  -0.529508   )
+ (  0.000000   0.000000     0.466781   0.000000    -0.466781   0.000000   )
+     freq (    2) =       2.608546 [THz] =      87.011739 [cm-1]
+ ( -0.683978   0.053830     0.021529   0.273547     0.021529   0.273547   )
+ ( -0.000000   0.567498    -0.168284  -0.000000    -0.168284   0.000000   )
+     freq (    3) =       4.282804 [THz] =     142.858977 [cm-1]
+ (  0.368190  -0.028977     0.035428   0.450151     0.035428   0.450151   )
+ ( -0.000000   0.268881     0.437903  -0.000000     0.437903   0.000000   )
+     freq (    4) =       6.664323 [THz] =     222.297885 [cm-1]
+ ( -0.102587   0.008074    -0.038165  -0.484931    -0.038165  -0.484931   )
+ ( -0.000000   0.526835     0.345418  -0.000000     0.345418   0.000000   )
+     freq (    5) =       7.172479 [THz] =     239.248135 [cm-1]
+ ( -0.000000   0.000000    -0.038091  -0.483992     0.038091   0.483992   )
+ ( -0.000000  -0.000000     0.514101  -0.000000    -0.514101   0.000000   )
+     freq (    6) =       7.561505 [THz] =     252.224656 [cm-1]
+ ( -0.644041   0.050687     0.003344   0.042493     0.003344   0.042493   )
+ ( -0.000000  -0.540657     0.378614  -0.000000     0.378614   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =       1.787892 [THz] =      59.637643 [cm-1]
+ (  0.000000  -0.000000     0.082831   0.522977    -0.082831  -0.522977   )
+ (  0.000000  -0.000000     0.468651   0.000000    -0.468651   0.000000   )
+     freq (    2) =       2.555911 [THz] =      85.256008 [cm-1]
+ ( -0.690522   0.109368     0.038540   0.243331     0.038540   0.243331   )
+ (  0.000000   0.583345    -0.157378  -0.000000    -0.157378   0.000000   )
+     freq (    3) =       4.135404 [THz] =     137.942231 [cm-1]
+ ( -0.336542   0.053303    -0.072064  -0.454992    -0.072064  -0.454992   )
+ ( -0.000000  -0.257207    -0.443464  -0.000000    -0.443464   0.000000   )
+     freq (    4) =       6.786197 [THz] =     226.363161 [cm-1]
+ (  0.038539  -0.006104     0.077394   0.488645     0.077394   0.488645   )
+ ( -0.000000  -0.528290    -0.339013   0.000000    -0.339013   0.000000   )
+     freq (    5) =       7.196957 [THz] =     240.064630 [cm-1]
+ ( -0.000000   0.000000    -0.076232  -0.481311     0.076232   0.481311   )
+ (  0.000000   0.000000     0.512375  -0.000000    -0.512375   0.000000   )
+     freq (    6) =       7.558571 [THz] =     252.126795 [cm-1]
+ ( -0.646778   0.102440     0.000744   0.004700     0.000744   0.004700   )
+ ( -0.000000  -0.527689     0.382546  -0.000000     0.382546   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =       1.696333 [THz] =      56.583593 [cm-1]
+ ( -0.000000  -0.000000    -0.123217  -0.513235     0.123217   0.513235   )
+ ( -0.000000  -0.000000    -0.470539  -0.000000     0.470539   0.000000   )
+     freq (    2) =       2.487860 [THz] =      82.986082 [cm-1]
+ ( -0.689976   0.165649     0.051177   0.213166     0.051177   0.213166   )
+ ( -0.000000   0.597377    -0.147507  -0.000000    -0.147507   0.000000   )
+     freq (    3) =       3.982436 [THz] =     132.839779 [cm-1]
+ ( -0.302948   0.072731    -0.109440  -0.455850    -0.109440  -0.455850   )
+ (  0.000000  -0.245858    -0.448850   0.000000    -0.448850   0.000000   )
+     freq (    4) =       6.906641 [THz] =     230.380741 [cm-1]
+ (  0.031045  -0.007453    -0.116334  -0.484565    -0.116334  -0.484565   )
+ ( -0.000000   0.537132     0.326953  -0.000000     0.326953   0.000000   )
+     freq (    5) =       7.222820 [THz] =     240.927346 [cm-1]
+ ( -0.000000   0.000000    -0.114189  -0.475633     0.114189   0.475633   )
+ ( -0.000000   0.000000     0.510621  -0.000000    -0.510621   0.000000   )
+     freq (    6) =       7.557176 [THz] =     252.080243 [cm-1]
+ ( -0.640405   0.153748    -0.009308  -0.038771    -0.009308  -0.038771   )
+ (  0.000000  -0.507906     0.390573  -0.000000     0.390573   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =       1.599503 [THz] =      53.353663 [cm-1]
+ ( -0.000000  -0.000000    -0.162572  -0.500344     0.162572   0.500344   )
+ ( -0.000000   0.000000    -0.472468  -0.000000     0.472468   0.000000   )
+     freq (    2) =       2.403902 [THz] =      80.185556 [cm-1]
+ ( -0.682507   0.221760     0.059743   0.183869     0.059743   0.183869   )
+ ( -0.000000   0.609824    -0.138505  -0.000000    -0.138505   0.000000   )
+     freq (    3) =       3.823140 [THz] =     127.526216 [cm-1]
+ ( -0.268411   0.087212    -0.147063  -0.452612    -0.147063  -0.452612   )
+ (  0.000000  -0.234524    -0.454080  -0.000000    -0.454080   0.000000   )
+     freq (    4) =       7.022156 [THz] =     234.233895 [cm-1]
+ (  0.108198  -0.035156    -0.152991  -0.470859    -0.152991  -0.470859   )
+ ( -0.000000   0.555913     0.306422   0.000000     0.306422   0.000000   )
+     freq (    5) =       7.250037 [THz] =     241.835198 [cm-1]
+ (  0.000000  -0.000000    -0.151735  -0.466992     0.151735   0.466992   )
+ ( -0.000000   0.000000     0.508817   0.000000    -0.508817   0.000000   )
+     freq (    6) =       7.559933 [THz] =     252.172225 [cm-1]
+ ( -0.622072   0.202123    -0.029098  -0.089555    -0.029098  -0.089555   )
+ (  0.000000  -0.477131     0.404219   0.000000     0.404219   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =       1.498482 [THz] =      49.983978 [cm-1]
+ (  0.000000   0.000000     0.200641   0.484390    -0.200641  -0.484390   )
+ (  0.000000  -0.000000     0.474457   0.000000    -0.474457   0.000000   )
+     freq (    2) =       2.304269 [THz] =      76.862125 [cm-1]
+ (  0.668396  -0.276859    -0.064681  -0.156154    -0.064681  -0.156154   )
+ (  0.000000  -0.620950     0.130156   0.000000     0.130156   0.000000   )
+     freq (    3) =       3.656622 [THz] =     121.971782 [cm-1]
+ (  0.233956  -0.096908     0.184431   0.445255     0.184431   0.445255   )
+ ( -0.000000   0.222895     0.459162  -0.000000     0.459162   0.000000   )
+     freq (    4) =       7.128362 [THz] =     237.776563 [cm-1]
+ (  0.194764  -0.080674    -0.183977  -0.444161    -0.183977  -0.444161   )
+ ( -0.000000   0.586624     0.273109   0.000000     0.273109   0.000000   )
+     freq (    5) =       7.278558 [THz] =     242.786550 [cm-1]
+ ( -0.000000  -0.000000     0.188646   0.455433    -0.188646  -0.455433   )
+ (  0.000000   0.000000    -0.506945   0.000000     0.506945   0.000000   )
+     freq (    6) =       7.570484 [THz] =     252.524177 [cm-1]
+ (  0.586788  -0.243056     0.061712   0.148986     0.061712   0.148986   )
+ ( -0.000000   0.428943    -0.424618   0.000000    -0.424618   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =       1.394367 [THz] =      46.511073 [cm-1]
+ ( -0.000000  -0.000000     0.237178   0.465488    -0.237178  -0.465488   )
+ ( -0.000000   0.000000     0.476516  -0.000000    -0.476516   0.000000   )
+     freq (    2) =       2.189847 [THz] =      73.045432 [cm-1]
+ (  0.648030  -0.330188    -0.066537  -0.130586    -0.066537  -0.130586   )
+ ( -0.000000  -0.631028     0.122223  -0.000000     0.122223   0.000000   )
+     freq (    3) =       3.481909 [THz] =     116.143981 [cm-1]
+ (  0.200546  -0.102183     0.221058   0.433850     0.221058   0.433850   )
+ ( -0.000000   0.210707     0.464089  -0.000000     0.464089   0.000000   )
+     freq (    4) =       7.219995 [THz] =     240.833108 [cm-1]
+ (  0.288232  -0.146862    -0.203716  -0.399815    -0.203716  -0.399815   )
+ ( -0.000000   0.627234     0.222741   0.000000     0.222741   0.000000   )
+     freq (    5) =       7.308298 [THz] =     243.778597 [cm-1]
+ (  0.000000  -0.000000     0.224705   0.441009    -0.224705  -0.441009   )
+ (  0.000000   0.000000    -0.504993  -0.000000     0.504993   0.000000   )
+     freq (    6) =       7.593477 [THz] =     253.291118 [cm-1]
+ (  0.527829  -0.268942     0.109533   0.214970     0.109533   0.214970   )
+ ( -0.000000   0.356696    -0.450231  -0.000000    -0.450231   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =       1.288228 [THz] =      42.970663 [cm-1]
+ ( -0.000000   0.000000     0.271947   0.443778    -0.271947  -0.443778   )
+ ( -0.000000   0.000000     0.478650   0.000000    -0.478650   0.000000   )
+     freq (    2) =       2.062067 [THz] =      68.783161 [cm-1]
+ (  0.621895  -0.381098    -0.065905  -0.107547    -0.065905  -0.107547   )
+ (  0.000000  -0.640297     0.114481  -0.000000     0.114481   0.000000   )
+     freq (    3) =       3.298020 [THz] =     110.010098 [cm-1]
+ (  0.169003  -0.103565     0.256497   0.418565     0.256497   0.418565   )
+ ( -0.000000   0.197782     0.468838   0.000000     0.468838   0.000000   )
+     freq (    4) =       7.292499 [THz] =     243.251593 [cm-1]
+ (  0.374834  -0.229699    -0.206345  -0.336725    -0.206345  -0.336725   )
+ (  0.000000   0.667183     0.157608  -0.000000     0.157608   0.000000   )
+     freq (    5) =       7.339121 [THz] =     244.806741 [cm-1]
+ ( -0.000000   0.000000     0.259696   0.423785    -0.259696  -0.423785   )
+ ( -0.000000  -0.000000    -0.502956   0.000000     0.502956   0.000000   )
+     freq (    6) =       7.632924 [THz] =     254.606953 [cm-1]
+ (  0.443472  -0.271760     0.169648   0.276841     0.169648   0.276841   )
+ ( -0.000000   0.262778    -0.474123   0.000000    -0.474123   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =       1.181075 [THz] =      39.396419 [cm-1]
+ (  0.000000  -0.000000    -0.304732  -0.419427     0.304732   0.419427   )
+ (  0.000000  -0.000000    -0.480852  -0.000000     0.480852  -0.000000   )
+     freq (    2) =       1.922755 [THz] =      64.136204 [cm-1]
+ (  0.590544  -0.429056    -0.063376  -0.087229    -0.063376  -0.087229   )
+ ( -0.000000  -0.648945     0.106744  -0.000000     0.106744   0.000000   )
+     freq (    3) =       3.104057 [THz] =     103.540184 [cm-1]
+ (  0.139954  -0.101683     0.290357   0.399642     0.290357   0.399642   )
+ (  0.000000   0.184054     0.473369   0.000000     0.473369   0.000000   )
+     freq (    4) =       7.345805 [THz] =     245.029664 [cm-1]
+ (  0.434206  -0.315469    -0.192444  -0.264876    -0.192444  -0.264876   )
+ ( -0.000000   0.693298     0.091908   0.000000     0.091908   0.000000   )
+     freq (    5) =       7.370818 [THz] =     245.864020 [cm-1]
+ ( -0.000000   0.000000     0.293399   0.403830    -0.293399  -0.403830   )
+ (  0.000000  -0.000000    -0.500838  -0.000000     0.500838   0.000000   )
+     freq (    6) =       7.688380 [THz] =     256.456755 [cm-1]
+ ( -0.347297   0.252326    -0.231764  -0.318995    -0.231764  -0.318995   )
+ ( -0.000000  -0.166780     0.488342  -0.000000     0.488342   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =       1.073821 [THz] =      35.818805 [cm-1]
+ (  0.000000  -0.000000    -0.335337  -0.392630     0.335337   0.392630   )
+ (  0.000000  -0.000000    -0.483105   0.000000     0.483105  -0.000000   )
+     freq (    2) =       1.773980 [THz] =      59.173616 [cm-1]
+ (  0.554574  -0.473651    -0.059490  -0.069654    -0.059490  -0.069654   )
+ ( -0.000000  -0.657090     0.098875  -0.000000     0.098875   0.000000   )
+     freq (    3) =       2.899292 [THz] =      96.709978 [cm-1]
+ (  0.113803  -0.097197     0.322306   0.377372     0.322306   0.377372   )
+ (  0.000000   0.169562     0.477634  -0.000000     0.477634   0.000000   )
+     freq (    4) =       7.385386 [THz] =     246.349960 [cm-1]
+ (  0.459125  -0.392130    -0.170011  -0.199057    -0.170011  -0.199057   )
+ (  0.000000   0.703671     0.040188  -0.000000     0.040188   0.000000   )
+     freq (    5) =       7.403095 [THz] =     246.940681 [cm-1]
+ ( -0.000000  -0.000000    -0.325596  -0.381224     0.325596   0.381224   )
+ (  0.000000   0.000000     0.498654  -0.000000    -0.498654   0.000000   )
+     freq (    6) =       7.753814 [THz] =     258.639398 [cm-1]
+ (  0.259468  -0.221606     0.286815   0.335818     0.286815   0.335818   )
+ ( -0.000000   0.089591    -0.492680   0.000000    -0.492680   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =       0.967252 [THz] =      32.264061 [cm-1]
+ (  0.000000  -0.000000     0.363596   0.363596    -0.363596  -0.363596   )
+ ( -0.000000   0.000000     0.485382  -0.000000    -0.485382   0.000000   )
+     freq (    2) =       1.617914 [THz] =      53.967804 [cm-1]
+ (  0.514587  -0.514587    -0.054708  -0.054708    -0.054708  -0.054708   )
+ ( -0.000000  -0.664787     0.090794  -0.000000     0.090794   0.000000   )
+     freq (    3) =       2.683241 [THz] =      89.503292 [cm-1]
+ (  0.090748  -0.090748     0.352077   0.352077     0.352077   0.352077   )
+ ( -0.000000   0.154435     0.481585  -0.000000     0.481585   0.000000   )
+     freq (    4) =       7.417956 [THz] =     247.436394 [cm-1]
+ ( -0.457075   0.457075     0.146086   0.146086     0.146086   0.146086   )
+ (  0.000000  -0.704796    -0.005619  -0.000000    -0.005619   0.000000   )
+     freq (    5) =       7.435570 [THz] =     248.023929 [cm-1]
+ (  0.000000   0.000000    -0.356060  -0.356060     0.356060   0.356060   )
+ ( -0.000000  -0.000000     0.496430   0.000000    -0.496430   0.000000   )
+     freq (    6) =       7.821873 [THz] =     260.909614 [cm-1]
+ (  0.189211  -0.189211     0.332847   0.332847     0.332847   0.332847   )
+ (  0.000000   0.036271    -0.491902  -0.000000    -0.491902   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =       0.862005 [THz] =      28.753400 [cm-1]
+ ( -0.000000  -0.000000    -0.389370  -0.332554     0.389370   0.332554   )
+ ( -0.000000  -0.000000    -0.487646  -0.000000     0.487646  -0.000000   )
+     freq (    2) =       1.456697 [THz] =      48.590186 [cm-1]
+ ( -0.471165   0.551663     0.049389   0.042182     0.049389   0.042182   )
+ ( -0.000000   0.672036    -0.082467  -0.000000    -0.082467   0.000000   )
+     freq (    3) =       2.455708 [THz] =      81.913589 [cm-1]
+ (  0.070812  -0.082910     0.379454   0.324084     0.379454   0.324084   )
+ (  0.000000   0.138851     0.485180  -0.000000     0.485180   0.000000   )
+     freq (    4) =       7.448062 [THz] =     248.440614 [cm-1]
+ ( -0.437472   0.512213     0.123510   0.105488     0.123510   0.105488   )
+ (  0.000000  -0.702150     0.015443   0.000000     0.015443   0.000000   )
+     freq (    5) =       7.467768 [THz] =     249.097927 [cm-1]
+ (  0.000000   0.000000     0.384563   0.328448    -0.384563  -0.328448   )
+ ( -0.000000  -0.000000    -0.494200  -0.000000     0.494200   0.000000   )
+     freq (    6) =       7.887254 [THz] =     263.090484 [cm-1]
+ ( -0.135787   0.158986    -0.371330  -0.317146    -0.371330  -0.317146   )
+ (  0.000000  -0.002054     0.489564   0.000000     0.489564   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =       0.758550 [THz] =      25.302491 [cm-1]
+ (  0.000000  -0.000000     0.412553   0.299737    -0.412553  -0.299737   )
+ (  0.000000  -0.000000     0.489855   0.000000    -0.489855   0.000000   )
+     freq (    2) =       1.292328 [THz] =      43.107413 [cm-1]
+ (  0.424856  -0.584764    -0.043797  -0.031821    -0.043797  -0.031821   )
+ (  0.000000  -0.678797     0.073894   0.000000     0.073894   0.000000   )
+     freq (    3) =       2.216806 [THz] =      73.944705 [cm-1]
+ (  0.053887  -0.074168     0.404272   0.293721     0.404272   0.293721   )
+ ( -0.000000   0.123004     0.488390  -0.000000     0.488390   0.000000   )
+     freq (    4) =       7.477849 [THz] =     249.434209 [cm-1]
+ (  0.406565  -0.559588    -0.102897  -0.074759    -0.102897  -0.074759   )
+ ( -0.000000   0.698375    -0.027256  -0.000000    -0.027256   0.000000   )
+     freq (    5) =       7.499130 [THz] =     250.144064 [cm-1]
+ ( -0.000000  -0.000000    -0.410872  -0.298516     0.410872   0.298516   )
+ (  0.000000   0.000000     0.492008   0.000000    -0.492008   0.000000   )
+     freq (    6) =       7.946928 [THz] =     265.080975 [cm-1]
+ (  0.095687  -0.131702     0.403876   0.293433     0.403876   0.293433   )
+ ( -0.000000  -0.018856    -0.487188  -0.000000    -0.487188   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       0.657183 [THz] =      21.921263 [cm-1]
+ (  0.000000   0.000000    -0.433066  -0.265383     0.433066   0.265383   )
+ (  0.000000  -0.000000    -0.491961   0.000000     0.491961   0.000000   )
+     freq (    2) =       1.126565 [THz] =      37.578175 [cm-1]
+ ( -0.376160   0.613838     0.038113   0.023356     0.038113   0.023356   )
+ (  0.000000   0.685007    -0.065097   0.000000    -0.065097   0.000000   )
+     freq (    3) =       1.966962 [THz] =      65.610798 [cm-1]
+ (  0.039775  -0.064908     0.426400   0.261298     0.426400   0.261298   )
+ (  0.000000   0.107075     0.491199   0.000000     0.491199   0.000000   )
+     freq (    4) =       7.507831 [THz] =     250.434288 [cm-1]
+ ( -0.367962   0.600460     0.084233   0.051618     0.084233   0.051618   )
+ ( -0.000000  -0.694528     0.032882  -0.000000     0.032882  -0.000000   )
+     freq (    5) =       7.529032 [THz] =     251.141491 [cm-1]
+ ( -0.000000  -0.000000     0.434759   0.266421    -0.434759  -0.266421   )
+ (  0.000000  -0.000000    -0.489903   0.000000     0.489903   0.000000   )
+     freq (    6) =       7.999390 [THz] =     266.830935 [cm-1]
+ (  0.065728  -0.107259     0.431531   0.264442     0.431531   0.264442   )
+ (  0.000000  -0.030662    -0.485252   0.000000    -0.485252   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       0.558035 [THz] =      18.614028 [cm-1]
+ (  0.000000   0.000000    -0.450862  -0.229725     0.450862   0.229725   )
+ (  0.000000   0.000000    -0.493913   0.000000     0.493913   0.000000   )
+     freq (    2) =       0.960853 [THz] =      32.050622 [cm-1]
+ (  0.325527  -0.638882    -0.032443  -0.016531    -0.032443  -0.016531   )
+ ( -0.000000  -0.690590     0.056108  -0.000000     0.056108   0.000000   )
+     freq (    3) =       1.706890 [THz] =      56.935733 [cm-1]
+ (  0.028236  -0.055416     0.445739   0.227115     0.445739   0.227115   )
+ (  0.000000   0.091209     0.493601  -0.000000     0.493601   0.000000   )
+     freq (    4) =       7.537535 [THz] =     251.425099 [cm-1]
+ (  0.323799  -0.635491    -0.067437  -0.034361    -0.067437  -0.034361   )
+ (  0.000000   0.691013    -0.034274   0.000000    -0.034274   0.000000   )
+     freq (    5) =       7.556806 [THz] =     252.067922 [cm-1]
+ (  0.000000   0.000000    -0.455998  -0.232343     0.455998   0.232343   )
+ ( -0.000000   0.000000     0.487937  -0.000000    -0.487937   0.000000   )
+     freq (    6) =       8.044053 [THz] =     268.320727 [cm-1]
+ (  0.043544  -0.085460     0.454901   0.231784     0.454901   0.231784   )
+ (  0.000000  -0.036045    -0.483830   0.000000    -0.483830   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       0.461078 [THz] =      15.379898 [cm-1]
+ (  0.000000  -0.000000    -0.465912  -0.192987     0.465912   0.192987   )
+ (  0.000000  -0.000000    -0.495663  -0.000000     0.495663   0.000000   )
+     freq (    2) =       0.796265 [THz] =      26.560534 [cm-1]
+ (  0.273351  -0.659927    -0.026845  -0.011119    -0.026845  -0.011119   )
+ (  0.000000  -0.695468     0.046964  -0.000000     0.046964   0.000000   )
+     freq (    3) =       1.437569 [THz] =      47.952154 [cm-1]
+ ( -0.019008   0.045889    -0.462213  -0.191455    -0.462213  -0.191455   )
+ (  0.000000  -0.075507    -0.495601  -0.000000    -0.495601   0.000000   )
+     freq (    4) =       7.565929 [THz] =     252.372236 [cm-1]
+ (  0.275451  -0.664997    -0.052455  -0.021727    -0.052455  -0.021727   )
+ ( -0.000000   0.687989    -0.032638  -0.000000    -0.032638   0.000000   )
+     freq (    5) =       7.581770 [THz] =     252.900638 [cm-1]
+ ( -0.000000  -0.000000    -0.474380  -0.196494     0.474380   0.196494   )
+ (  0.000000  -0.000000     0.486162   0.000000    -0.486162   0.000000   )
+     freq (    6) =       8.080869 [THz] =     269.548767 [cm-1]
+ ( -0.027408   0.066168    -0.474339  -0.196478    -0.474339  -0.196478   )
+ (  0.000000   0.036685     0.482868   0.000000     0.482868   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       0.366149 [THz] =      12.213426 [cm-1]
+ (  0.000000   0.000000     0.478209   0.155379    -0.478209  -0.155379   )
+ (  0.000000  -0.000000     0.497166   0.000000    -0.497166   0.000000   )
+     freq (    2) =       0.633465 [THz] =      21.130110 [cm-1]
+ (  0.219979  -0.677026    -0.021337  -0.006933    -0.021337  -0.006933   )
+ (  0.000000  -0.699568     0.037700   0.000000     0.037700   0.000000   )
+     freq (    3) =       1.160199 [THz] =      38.700064 [cm-1]
+ ( -0.011843   0.036449    -0.475762  -0.154584    -0.475762  -0.154584   )
+ (  0.000000  -0.060023    -0.497211   0.000000    -0.497211   0.000000   )
+     freq (    4) =       7.591712 [THz] =     253.232244 [cm-1]
+ ( -0.223906   0.689111     0.039236   0.012749     0.039236   0.012749   )
+ (  0.000000  -0.685519     0.028738   0.000000     0.028738   0.000000   )
+     freq (    5) =       7.603265 [THz] =     253.617626 [cm-1]
+ ( -0.000000  -0.000000    -0.489709  -0.159116     0.489709   0.159116   )
+ (  0.000000   0.000000     0.484631   0.000000    -0.484631   0.000000   )
+     freq (    6) =       8.110099 [THz] =     270.523782 [cm-1]
+ ( -0.016009   0.049270    -0.490053  -0.159228    -0.490053  -0.159228   )
+ (  0.000000   0.033677     0.482271   0.000000     0.482271   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       0.272963 [THz] =       9.105060 [cm-1]
+ (  0.000000  -0.000000    -0.487756  -0.117100     0.487756   0.117100   )
+ (  0.000000  -0.000000    -0.498379  -0.000000     0.498379   0.000000   )
+     freq (    2) =       0.472713 [THz] =      15.768008 [cm-1]
+ (  0.165712  -0.690240    -0.015918  -0.003822    -0.015918  -0.003822   )
+ ( -0.000000  -0.702826     0.028346  -0.000000     0.028346   0.000000   )
+     freq (    3) =       0.876166 [THz] =      29.225745 [cm-1]
+ ( -0.006518   0.027151    -0.486343  -0.116761    -0.486343  -0.116761   )
+ ( -0.000000  -0.044768    -0.498443  -0.000000    -0.498443   0.000000   )
+     freq (    4) =       7.613524 [THz] =     253.959809 [cm-1]
+ (  0.169946  -0.707878    -0.027672  -0.006644    -0.027672  -0.006644   )
+ (  0.000000   0.683623    -0.023100   0.000000    -0.023100   0.000000   )
+     freq (    5) =       7.620688 [THz] =     254.198778 [cm-1]
+ (  0.000000   0.000000    -0.501819  -0.120476     0.501819   0.120476   )
+ ( -0.000000  -0.000000     0.483387  -0.000000    -0.483387   0.000000   )
+     freq (    6) =       8.132160 [THz] =     271.259674 [cm-1]
+ ( -0.008307   0.034600    -0.502172  -0.120561    -0.502172  -0.120561   )
+ ( -0.000000   0.027819     0.481943  -0.000000     0.481943   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       0.181174 [THz] =       6.043299 [cm-1]
+ (  0.000000   0.000000     0.494563   0.078331    -0.494563  -0.078331   )
+ (  0.000000  -0.000000     0.499271   0.000000    -0.499271   0.000000   )
+     freq (    2) =       0.313887 [THz] =      10.470148 [cm-1]
+ (  0.110810  -0.699629    -0.010570  -0.001674    -0.010570  -0.001674   )
+ (  0.000000  -0.705192     0.018930   0.000000     0.018930   0.000000   )
+     freq (    3) =       0.587013 [THz] =      19.580642 [cm-1]
+ ( -0.002851   0.018000    -0.493923  -0.078230    -0.493923  -0.078230   )
+ (  0.000000  -0.029718    -0.499312  -0.000000    -0.499312   0.000000   )
+     freq (    4) =       7.630120 [THz] =     254.513409 [cm-1]
+ ( -0.114242   0.721298     0.017543   0.002778     0.017543   0.002778   )
+ ( -0.000000  -0.682294     0.016152  -0.000000     0.016152   0.000000   )
+     freq (    5) =       7.633527 [THz] =     254.627042 [cm-1]
+ (  0.000000   0.000000    -0.510571  -0.080867     0.510571   0.080867   )
+ ( -0.000000   0.000000     0.482470  -0.000000    -0.482470   0.000000   )
+     freq (    6) =       8.147506 [THz] =     271.771556 [cm-1]
+ ( -0.003461   0.021852    -0.510778  -0.080899    -0.510778  -0.080899   )
+ ( -0.000000   0.019793     0.481789  -0.000000     0.481789   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       0.090342 [THz] =       3.013495 [cm-1]
+ ( -0.000000   0.000000     0.498642   0.039244    -0.498642  -0.039244   )
+ ( -0.000000   0.000000     0.499817  -0.000000    -0.499817   0.000000   )
+     freq (    2) =       0.156542 [THz] =       5.221694 [cm-1]
+ (  0.055504  -0.705240    -0.005273  -0.000415    -0.005273  -0.000415   )
+ ( -0.000000  -0.706626     0.009475  -0.000000     0.009475   0.000000   )
+     freq (    3) =       0.294384 [THz] =       9.819606 [cm-1]
+ ( -0.000706   0.008968    -0.498480  -0.039231    -0.498480  -0.039231   )
+ ( -0.000000  -0.014819    -0.499829  -0.000000    -0.499829   0.000000   )
+     freq (    4) =       7.640507 [THz] =     254.859869 [cm-1]
+ ( -0.057402   0.729359     0.008483   0.000668     0.008483   0.000668   )
+ ( -0.000000  -0.681511     0.008307  -0.000000     0.008307   0.000000   )
+     freq (    5) =       7.641393 [THz] =     254.889430 [cm-1]
+ (  0.000000   0.000000    -0.515865  -0.040599     0.515865   0.040599   )
+ ( -0.000000  -0.000000     0.481908  -0.000000    -0.481908   0.000000   )
+     freq (    6) =       8.156533 [THz] =     272.072665 [cm-1]
+ ( -0.000829   0.010540    -0.515924  -0.040604    -0.515924  -0.040604   )
+ ( -0.000000   0.010278     0.481732  -0.000000     0.481732   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      1.0000      1.0000
+ **************************************************************************
+     freq (    1) =      -0.000000 [THz] =      -0.000005 [cm-1]
+ (  0.020097  -0.000000     0.693606   0.000000     0.136041   0.000000   )
+ (  0.020097   0.000000     0.693606  -0.000000     0.136041   0.000000   )
+     freq (    2) =      -0.000000 [THz] =      -0.000004 [cm-1]
+ ( -0.009015  -0.000000    -0.135834   0.000000     0.693879   0.000000   )
+ ( -0.009015   0.000000    -0.135834   0.000000     0.693879  -0.000000   )
+     freq (    3) =       0.000000 [THz] =       0.000004 [cm-1]
+ ( -0.706764  -0.000000     0.021456   0.000000    -0.004983   0.000000   )
+ ( -0.706764   0.000000     0.021456  -0.000000    -0.004983   0.000000   )
+     freq (    4) =       7.644043 [THz] =     254.977815 [cm-1]
+ (  0.732048   0.000000    -0.000000   0.000000    -0.000000  -0.000000   )
+ ( -0.681253  -0.000000     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    5) =       7.644043 [THz] =     254.977815 [cm-1]
+ ( -0.000000  -0.000000    -0.517636  -0.000000     0.517636   0.000000   )
+ (  0.000000   0.000000     0.481719  -0.000000    -0.481719   0.000000   )
+     freq (    6) =       8.159511 [THz] =     272.171977 [cm-1]
+ ( -0.000000   0.000000    -0.517636  -0.000000    -0.517636  -0.000000   )
+ (  0.000000   0.000000     0.481719  -0.000000     0.481719   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       0.139020 [THz] =       4.637216 [cm-1]
+ (  0.553673   0.008125     0.419446   0.006056     0.134226   0.002069   )
+ (  0.553055  -0.000409     0.418977  -0.000409     0.134078   0.000000   )
+     freq (    2) =       0.139020 [THz] =       4.637216 [cm-1]
+ (  0.164667   0.002636    -0.397157  -0.006024     0.561823   0.008660   )
+ (  0.164486   0.000098    -0.396716   0.000098     0.561203   0.000000   )
+     freq (    3) =       0.375848 [THz] =      12.536937 [cm-1]
+ (  0.407009   0.033067    -0.407009  -0.033067    -0.407009  -0.033067   )
+ (  0.408146  -0.000000    -0.408146   0.000000    -0.408146   0.000000   )
+     freq (    4) =       7.639630 [THz] =     254.830631 [cm-1]
+ (  0.310750   0.004364    -0.286389  -0.004840     0.597138   0.009204   )
+ ( -0.289570   0.000397     0.266881   0.000397    -0.556451   0.000000   )
+     freq (    5) =       7.639630 [THz] =     254.830631 [cm-1]
+ (  0.510067  -0.010213     0.524132  -0.009996    -0.014066  -0.000217   )
+ ( -0.475053   0.016840    -0.488160   0.016840     0.013107   0.000000   )
+     freq (    6) =       8.154577 [THz] =     272.007417 [cm-1]
+ (  0.421162   0.034217    -0.421162  -0.034217    -0.421162  -0.034217   )
+ ( -0.393427   0.000000     0.393427  -0.000000     0.393427   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       0.277092 [THz] =       9.242784 [cm-1]
+ (  0.353107   0.000134     0.573606   0.006808    -0.220498  -0.006673   )
+ (  0.351247  -0.010496     0.570782  -0.010496    -0.219535   0.000000   )
+     freq (    2) =       0.277092 [THz] =       9.242784 [cm-1]
+ (  0.458443   0.009524    -0.076365  -0.006662     0.534808   0.016186   )
+ (  0.456309  -0.004328    -0.076162  -0.004328     0.532471   0.000000   )
+     freq (    3) =       0.750323 [THz] =      25.028077 [cm-1]
+ (  0.403259   0.066177    -0.403259  -0.066177    -0.403259  -0.066177   )
+ (  0.407843  -0.000000    -0.407843   0.000000    -0.407843   0.000000   )
+     freq (    4) =       7.626649 [THz] =     254.397638 [cm-1]
+ (  0.191149   0.005155    -0.393396  -0.012535     0.584545   0.017691   )
+ ( -0.178812   0.000588     0.368060   0.000588    -0.546873   0.000000   )
+     freq (    5) =       7.626649 [THz] =     254.397638 [cm-1]
+ (  0.564521   0.020236     0.447730   0.016701     0.116791   0.003535   )
+ ( -0.528229  -0.002945    -0.418964  -0.002945    -0.109264   0.000000   )
+     freq (    6) =       8.139810 [THz] =     271.514837 [cm-1]
+ (  0.416685   0.068380    -0.416685  -0.068380    -0.416685  -0.068380   )
+ ( -0.393740   0.000000     0.393740  -0.000000     0.393740   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       0.413226 [THz] =      13.783744 [cm-1]
+ ( -0.571526  -0.051022    -0.210681  -0.035146    -0.360845  -0.015876   )
+ ( -0.567140  -0.025578    -0.209775  -0.025578    -0.357365   0.000000   )
+     freq (    2) =       0.413226 [THz] =      13.783744 [cm-1]
+ ( -0.083972  -0.024266    -0.537873  -0.044236     0.453901   0.019970   )
+ ( -0.084057  -0.020334    -0.533580  -0.020334     0.449523   0.000000   )
+     freq (    3) =       1.122070 [THz] =      37.428231 [cm-1]
+ ( -0.396904  -0.099347     0.396904   0.099347     0.396904   0.099347   )
+ ( -0.407346   0.000000     0.407346   0.000000     0.407346   0.000000   )
+     freq (    4) =       7.605855 [THz] =     253.704027 [cm-1]
+ ( -0.464821   0.221892    -0.464821   0.221892     0.000000   0.000000   )
+ (  0.427607  -0.227723     0.427607  -0.227723     0.000000   0.000000   )
+     freq (    5) =       7.605855 [THz] =     253.704027 [cm-1]
+ ( -0.297087  -0.013071     0.297087   0.013071    -0.594174  -0.026142   )
+ (  0.279706  -0.000000    -0.279706   0.000000     0.559411  -0.000000   )
+     freq (    6) =       8.115306 [THz] =     270.697456 [cm-1]
+ ( -0.409158  -0.102414     0.409158   0.102414     0.409158   0.102414   )
+ (  0.394251  -0.000000    -0.394251   0.000000    -0.394251   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       0.546369 [THz] =      18.224910 [cm-1]
+ ( -0.144899  -0.007331     0.415444   0.024094    -0.560343  -0.031425   )
+ ( -0.142438   0.000779     0.408557   0.000779    -0.550995   0.000000   )
+     freq (    2) =       0.546369 [THz] =      18.224910 [cm-1]
+ ( -0.563231  -0.034438    -0.406977  -0.025675    -0.156254  -0.008763   )
+ ( -0.553991  -0.002794    -0.400344  -0.002794    -0.153647   0.000000   )
+     freq (    3) =       1.489776 [THz] =      49.693586 [cm-1]
+ (  0.387796   0.132543    -0.387796  -0.132543    -0.387796  -0.132543   )
+ (  0.406669  -0.000000    -0.406669  -0.000000    -0.406669   0.000000   )
+     freq (    4) =       7.578459 [THz] =     252.790178 [cm-1]
+ ( -0.483579   0.060910    -0.532356   0.058175     0.048777   0.002736   )
+ (  0.454428  -0.083312     0.500736  -0.083312    -0.046308   0.000000   )
+     freq (    5) =       7.578459 [THz] =     252.790178 [cm-1]
+ (  0.336841   0.011609    -0.252799  -0.021460     0.589640   0.033068   )
+ ( -0.319403   0.006892     0.240389   0.006892    -0.559792   0.000000   )
+     freq (    6) =       8.081217 [THz] =     269.560367 [cm-1]
+ (  0.398497   0.136201    -0.398497  -0.136201    -0.398497  -0.136201   )
+ ( -0.394946   0.000000     0.394946  -0.000000     0.394946   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       0.675348 [THz] =      22.527193 [cm-1]
+ (  0.260054  -0.011967    -0.321759  -0.050389     0.581813   0.038422   )
+ (  0.251645  -0.028284    -0.315534  -0.028284     0.567179  -0.000000   )
+     freq (    2) =       0.675348 [THz] =      22.527193 [cm-1]
+ (  0.380453   0.360599     0.329915   0.357262     0.050538   0.003337   )
+ (  0.392387   0.325617     0.343120   0.325617     0.049267   0.000000   )
+     freq (    3) =       1.852186 [THz] =      61.782262 [cm-1]
+ (  0.375753   0.165665    -0.375753  -0.165665    -0.375753  -0.165665   )
+ (  0.405830  -0.000000    -0.405830   0.000000    -0.405830   0.000000   )
+     freq (    4) =       7.546054 [THz] =     251.709273 [cm-1]
+ ( -0.352800  -0.084564    -0.575271  -0.099256     0.222471   0.014691   )
+ (  0.342122   0.058486     0.555425   0.058486    -0.213302   0.000000   )
+     freq (    5) =       7.546054 [THz] =     251.709273 [cm-1]
+ (  0.461928   0.055512    -0.083116   0.019518     0.545044   0.035993   )
+ ( -0.444467  -0.023872     0.078114  -0.023872    -0.522581   0.000000   )
+     freq (    6) =       8.037738 [THz] =     268.110069 [cm-1]
+ (  0.384601   0.169566    -0.384601  -0.169566    -0.384601  -0.169566   )
+ ( -0.395806   0.000000     0.395806  -0.000000     0.395806   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       0.798908 [THz] =      26.648691 [cm-1]
+ (  0.179551  -0.378543     0.402735  -0.362149    -0.223184  -0.016394   )
+ (  0.145703  -0.376135     0.361157  -0.376135    -0.215454   0.000000   )
+     freq (    2) =       0.798908 [THz] =      26.648691 [cm-1]
+ ( -0.391026   0.132435     0.151474   0.172285    -0.542500  -0.039850   )
+ ( -0.366116   0.154742     0.157594   0.154742    -0.523710   0.000000   )
+     freq (    3) =       2.208140 [THz] =      73.655624 [cm-1]
+ (  0.360577   0.198532    -0.360577  -0.198532    -0.360577  -0.198532   )
+ (  0.404849  -0.000000    -0.404849  -0.000000    -0.404849   0.000000   )
+     freq (    4) =       7.510521 [THz] =     250.524000 [cm-1]
+ ( -0.467494   0.073471    -0.532927   0.068664     0.065433   0.004806   )
+ (  0.445463  -0.103930     0.508880  -0.103930    -0.063417   0.000000   )
+     freq (    5) =       7.510521 [THz] =     250.524000 [cm-1]
+ (  0.347167   0.013377    -0.234659  -0.029362     0.581826   0.042738   )
+ ( -0.335617   0.011688     0.228291   0.011688    -0.563908   0.000000   )
+     freq (    6) =       7.985086 [THz] =     266.353802 [cm-1]
+ (  0.367374   0.202274    -0.367374  -0.202274    -0.367374  -0.202274   )
+ ( -0.396806   0.000000     0.396806   0.000000     0.396806   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       0.915699 [THz] =      30.544435 [cm-1]
+ ( -0.001462  -0.010336     0.510034   0.029581    -0.511495  -0.039917   )
+ ( -0.002154  -0.009706     0.486501  -0.009706    -0.488655   0.000000   )
+     freq (    2) =       0.915699 [THz] =      30.544435 [cm-1]
+ (  0.590469   0.028232     0.297525   0.005371     0.292944   0.022861   )
+ (  0.562780  -0.016948     0.282917  -0.016948     0.279863   0.000000   )
+     freq (    3) =       2.556593 [THz] =      85.278756 [cm-1]
+ (  0.342074   0.230878    -0.342074  -0.230878    -0.342074  -0.230878   )
+ (  0.403750  -0.000000    -0.403750   0.000000    -0.403750   0.000000   )
+     freq (    4) =       7.473899 [THz] =     249.302420 [cm-1]
+ (  0.469007   0.031108     0.533955   0.036177    -0.064948  -0.005068   )
+ ( -0.459229   0.005351    -0.522881   0.005351     0.063652   0.000000   )
+     freq (    5) =       7.473899 [THz] =     249.302420 [cm-1]
+ (  0.345592   0.026353    -0.233010  -0.018800     0.578602   0.045154   )
+ ( -0.338648   0.000601     0.228407   0.000601    -0.567055   0.000000   )
+     freq (    6) =       7.923473 [THz] =     264.298611 [cm-1]
+ (  0.346734   0.234024    -0.346734  -0.234024    -0.346734  -0.234024   )
+ ( -0.397921   0.000000     0.397921  -0.000000     0.397921   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =       1.024337 [THz] =      34.168207 [cm-1]
+ (  0.071714  -0.070216     0.543078  -0.032676    -0.471364  -0.037540   )
+ (  0.062112  -0.071322     0.507696  -0.071322    -0.445585   0.000000   )
+     freq (    2) =       1.024337 [THz] =      34.168207 [cm-1]
+ ( -0.583264   0.053309    -0.224513   0.081880    -0.358751  -0.028571   )
+ ( -0.543901   0.093711    -0.204771   0.093711    -0.339131   0.000000   )
+     freq (    3) =       2.896630 [THz] =      96.621171 [cm-1]
+ ( -0.320070  -0.262364     0.320070   0.262364     0.320070   0.262364   )
+ ( -0.402559   0.000000     0.402559  -0.000000     0.402559   0.000000   )
+     freq (    4) =       7.438245 [THz] =     248.113149 [cm-1]
+ ( -0.289583  -0.023092     0.289533   0.023029    -0.579116  -0.046122   )
+ (  0.286891   0.000029    -0.286837   0.000029     0.573728   0.000000   )
+     freq (    5) =       7.438245 [THz] =     248.113149 [cm-1]
+ (  0.311693   0.394916     0.311739   0.394919    -0.000046  -0.000004   )
+ ( -0.337810  -0.364338    -0.337855  -0.364338     0.000046   0.000000   )
+     freq (    6) =       7.853075 [THz] =     261.950383 [cm-1]
+ (  0.322632   0.264464    -0.322632  -0.264464    -0.322632  -0.264464   )
+ ( -0.399125   0.000000     0.399125  -0.000000     0.399125   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =       1.123479 [THz] =      37.475242 [cm-1]
+ (  0.558857  -0.169483     0.272016  -0.191943     0.286840   0.022460   )
+ (  0.507435  -0.198331     0.239016  -0.198331     0.268418  -0.000000   )
+     freq (    2) =       1.123479 [THz] =      37.475242 [cm-1]
+ ( -0.032274  -0.119810     0.489254  -0.078974    -0.521528  -0.040837   )
+ ( -0.038743  -0.109082     0.449291  -0.109082    -0.488034   0.000000   )
+     freq (    3) =       3.227473 [THz] =     107.656897 [cm-1]
+ ( -0.294424  -0.292588     0.294424   0.292588     0.294424   0.292588   )
+ ( -0.401298   0.000000     0.401298  -0.000000     0.401298   0.000000   )
+     freq (    4) =       7.405476 [THz] =     247.020089 [cm-1]
+ ( -0.289831  -0.021603     0.286466   0.023522    -0.576296  -0.045125   )
+ (  0.289914  -0.001086    -0.286717  -0.001086     0.576631   0.000000   )
+     freq (    5) =       7.405476 [THz] =     247.020089 [cm-1]
+ (  0.433704  -0.248175     0.435934  -0.248000    -0.002230  -0.000175   )
+ ( -0.411986   0.280578    -0.414218   0.280578     0.002231   0.000000   )
+     freq (    6) =       7.774006 [THz] =     259.312912 [cm-1]
+ (  0.295045   0.293204    -0.295045  -0.293204    -0.295045  -0.293204   )
+ ( -0.400391  -0.000000     0.400391  -0.000000     0.400391   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =       1.211938 [THz] =      40.425886 [cm-1]
+ (  0.576917   0.015933     0.428864   0.004938     0.148053   0.010995   )
+ (  0.533088  -0.024815     0.395810  -0.024815     0.137278   0.000000   )
+     freq (    2) =       1.211938 [THz] =      40.425886 [cm-1]
+ (  0.161066   0.018839    -0.418152  -0.024174     0.579218   0.043014   )
+ (  0.149815   0.006343    -0.387249   0.006343     0.537064   0.000000   )
+     freq (    3) =       3.548463 [THz] =     118.363997 [cm-1]
+ (  0.265019   0.321105    -0.265019  -0.321105    -0.265019  -0.321105   )
+ (  0.399987  -0.000000    -0.399987   0.000000    -0.399987   0.000000   )
+     freq (    4) =       7.377205 [THz] =     246.077081 [cm-1]
+ ( -0.261447   0.169183     0.269632   0.208621    -0.531078  -0.039439   )
+ (  0.249793  -0.189288    -0.286167  -0.189288     0.535959   0.000000   )
+     freq (    5) =       7.377205 [THz] =     246.077081 [cm-1]
+ ( -0.118778  -0.469164     0.098799  -0.453007    -0.217577  -0.016158   )
+ (  0.154181   0.462027    -0.065396   0.462027     0.219577   0.000000   )
+     freq (    6) =       7.686298 [THz] =     256.387301 [cm-1]
+ (  0.263967   0.319830    -0.263967  -0.319830    -0.263967  -0.319830   )
+ ( -0.401701  -0.000000     0.401701  -0.000000     0.401701   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =       1.288808 [THz] =      42.990001 [cm-1]
+ ( -0.300722   0.077554    -0.596088   0.057481     0.295366   0.020073   )
+ ( -0.270577   0.089741    -0.542325   0.089741     0.271748  -0.000000   )
+     freq (    2) =       1.288808 [THz] =      42.990001 [cm-1]
+ ( -0.514729   0.020423     0.007676   0.055925    -0.522405  -0.035502   )
+ ( -0.470122   0.050739     0.010511   0.050739    -0.480633   0.000000   )
+     freq (    3) =       3.859035 [THz] =     128.723551 [cm-1]
+ ( -0.231733  -0.347450     0.231733   0.347450     0.231733   0.347450   )
+ ( -0.398637   0.000000     0.398637  -0.000000     0.398637   0.000000   )
+     freq (    4) =       7.354602 [THz] =     245.323104 [cm-1]
+ (  0.554512   0.127261     0.231767   0.105327     0.322745   0.021934   )
+ ( -0.569633  -0.090606    -0.241671  -0.090606    -0.327962   0.000000   )
+     freq (    5) =       7.354602 [THz] =     245.323104 [cm-1]
+ (  0.032486   0.063418     0.504800   0.095516    -0.472314  -0.032098   )
+ ( -0.037219  -0.061914    -0.517168  -0.061914     0.479949   0.000000   )
+     freq (    6) =       7.589903 [THz] =     253.171915 [cm-1]
+ ( -0.229375  -0.343914     0.229375   0.343914     0.229375   0.343914   )
+ (  0.403042  -0.000000    -0.403042  -0.000000    -0.403042   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =       1.353591 [THz] =      45.150946 [cm-1]
+ (  0.327574  -0.380388     0.384827  -0.376954    -0.057253  -0.003435   )
+ (  0.277691  -0.364513     0.330047  -0.364513    -0.052356   0.000000   )
+     freq (    2) =       1.353591 [THz] =      45.150946 [cm-1]
+ (  0.333645  -0.018207    -0.265578  -0.054154     0.599224   0.035947   )
+ (  0.303020  -0.034828    -0.244953  -0.034828     0.547973   0.000000   )
+     freq (    3) =       4.158656 [THz] =     138.717844 [cm-1]
+ (  0.194378   0.371145    -0.194378  -0.371145    -0.194378  -0.371145   )
+ (  0.397243  -0.000000    -0.397243   0.000000    -0.397243   0.000000   )
+     freq (    4) =       7.338275 [THz] =     244.778518 [cm-1]
+ ( -0.285352  -0.017124     0.285377   0.017113    -0.570729  -0.034238   )
+ (  0.291434   0.000006    -0.291459   0.000006     0.582892   0.000000   )
+     freq (    5) =       7.338275 [THz] =     244.778518 [cm-1]
+ (  0.452373  -0.201352     0.452358  -0.201353     0.000016   0.000001   )
+ ( -0.448066   0.232523    -0.448049   0.232523    -0.000016   0.000000   )
+     freq (    6) =       7.484712 [THz] =     249.663110 [cm-1]
+ (  0.191166   0.365012    -0.191166  -0.365012    -0.191166  -0.365012   )
+ ( -0.404420   0.000000     0.404420  -0.000000     0.404420   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =       1.406296 [THz] =      46.908978 [cm-1]
+ ( -0.458294  -0.027818    -0.568528  -0.033444     0.110235   0.005626   )
+ ( -0.417528  -0.004022    -0.517908  -0.004022     0.100380   0.000000   )
+     freq (    2) =       1.406296 [THz] =      46.908978 [cm-1]
+ (  0.391980   0.020828    -0.201139  -0.009442     0.593118   0.030270   )
+ (  0.356975   0.000748    -0.183119   0.000748     0.540094   0.000000   )
+     freq (    3) =       4.446765 [THz] =     148.328114 [cm-1]
+ (  0.152582   0.391678    -0.152582  -0.391678    -0.152582  -0.391678   )
+ (  0.395778  -0.000000    -0.395778   0.000000    -0.395778   0.000000   )
+     freq (    4) =       7.328224 [THz] =     244.443251 [cm-1]
+ ( -0.265167  -0.029433     0.304053  -0.000383    -0.569220  -0.029050   )
+ (  0.272529   0.016250    -0.310715   0.016250     0.583244   0.000000   )
+     freq (    5) =       7.328224 [THz] =     244.443251 [cm-1]
+ (  0.405834  -0.299623     0.377580  -0.301065     0.028254   0.001442   )
+ ( -0.399126   0.327374    -0.370176   0.327374    -0.028950   0.000000   )
+     freq (    6) =       7.370608 [THz] =     245.857028 [cm-1]
+ ( -0.149053  -0.382618     0.149053   0.382618     0.149053   0.382618   )
+ (  0.405857  -0.000000    -0.405857  -0.000000    -0.405857   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =       1.447476 [THz] =      48.282608 [cm-1]
+ ( -0.300668  -0.026627     0.303214  -0.001398    -0.603881  -0.025229   )
+ ( -0.273637  -0.012754     0.274884  -0.012754    -0.548522   0.000000   )
+     freq (    2) =       1.447476 [THz] =      48.282608 [cm-1]
+ ( -0.055471   0.520947    -0.039238   0.521625    -0.016233  -0.000678   )
+ ( -0.030563   0.474467    -0.015819   0.474467    -0.014745   0.000000   )
+     freq (    3) =       4.722667 [THz] =     157.531231 [cm-1]
+ ( -0.105591  -0.408420     0.105591   0.408420     0.105591   0.408420   )
+ ( -0.394179   0.000000     0.394179  -0.000000     0.394179   0.000000   )
+     freq (    4) =       7.247569 [THz] =     241.752893 [cm-1]
+ (  0.102394   0.396056    -0.102394  -0.396056    -0.102394  -0.396056   )
+ ( -0.407417  -0.000000     0.407417   0.000000     0.407417   0.000000   )
+     freq (    5) =       7.323848 [THz] =     244.297263 [cm-1]
+ ( -0.261928   0.033879     0.304649   0.057550    -0.566577  -0.023671   )
+ (  0.266904  -0.045922    -0.314587  -0.045922     0.581491   0.000000   )
+     freq (    6) =       7.323848 [THz] =     244.297263 [cm-1]
+ ( -0.237003  -0.446140    -0.178789  -0.443707    -0.058214  -0.002432   )
+ (  0.261914   0.446941     0.202167   0.446941     0.059747   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =       1.478203 [THz] =      49.307548 [cm-1]
+ ( -0.110058  -0.015888     0.459716   0.002807    -0.569774  -0.018695   )
+ ( -0.100231  -0.011128     0.416778  -0.011128    -0.517009   0.000000   )
+     freq (    2) =       1.478203 [THz] =      49.307548 [cm-1]
+ (  0.594313  -0.015146     0.392405  -0.021771     0.201908   0.006625   )
+ (  0.538245  -0.031404     0.355036  -0.031404     0.183209   0.000000   )
+     freq (    3) =       4.985377 [THz] =     166.294261 [cm-1]
+ (  0.051881   0.420389    -0.051881  -0.420389    -0.051881  -0.420389   )
+ (  0.392319  -0.000000    -0.392319   0.000000    -0.392319   0.000000   )
+     freq (    4) =       7.115845 [THz] =     237.359038 [cm-1]
+ (  0.049885   0.404211    -0.049885  -0.404211    -0.049885  -0.404211   )
+ ( -0.409217  -0.000000     0.409217   0.000000     0.409217   0.000000   )
+     freq (    5) =       7.324036 [THz] =     244.303544 [cm-1]
+ ( -0.069326  -0.479948     0.074112  -0.475242    -0.143438  -0.004706   )
+ (  0.087251   0.489897    -0.060016   0.489897     0.147267   0.000000   )
+     freq (    6) =       7.324036 [THz] =     244.303544 [cm-1]
+ ( -0.276217   0.115244     0.274972   0.133329    -0.551189  -0.018085   )
+ (  0.279408  -0.127488    -0.286495  -0.127488     0.565903   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =       1.499950 [THz] =      50.032949 [cm-1]
+ (  0.262935  -0.007145    -0.339760  -0.021947     0.602695   0.014803   )
+ (  0.238293  -0.012336    -0.308613  -0.012336     0.546905  -0.000000   )
+     freq (    2) =       1.499950 [THz] =      50.032949 [cm-1]
+ ( -0.511978  -0.185480    -0.464563  -0.184316    -0.047415  -0.001165   )
+ ( -0.468437  -0.156806    -0.425411  -0.156806    -0.043026   0.000000   )
+     freq (    3) =       5.233275 [THz] =     174.563270 [cm-1]
+ ( -0.011588   0.425592     0.011588  -0.425592     0.011588  -0.425592   )
+ (  0.389962  -0.000000    -0.389962   0.000000    -0.389962   0.000000   )
+     freq (    4) =       6.976325 [THz] =     232.705153 [cm-1]
+ (  0.011023  -0.404842    -0.011023   0.404842    -0.011023   0.404842   )
+ (  0.411479   0.000000    -0.411479  -0.000000    -0.411479   0.000000   )
+     freq (    5) =       7.327327 [THz] =     244.413317 [cm-1]
+ (  0.220870  -0.032805    -0.342677  -0.046646     0.563547   0.013841   )
+ ( -0.225685   0.039206     0.352606   0.039206    -0.578291   0.000000   )
+     freq (    6) =       7.327327 [THz] =     244.413317 [cm-1]
+ ( -0.450868  -0.267740    -0.366931  -0.265679    -0.083938  -0.002062   )
+ (  0.469129   0.263223     0.382995   0.263223     0.086134   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =       1.514410 [THz] =      50.515279 [cm-1]
+ (  0.511114   0.222426     0.425863   0.220956     0.085251   0.001470   )
+ (  0.467453   0.193909     0.390042   0.193909     0.077411   0.000000   )
+     freq (    2) =       1.514410 [THz] =      50.515279 [cm-1]
+ (  0.232448  -0.026425    -0.365937  -0.036744     0.598385   0.010319   )
+ (  0.210594  -0.027626    -0.332760  -0.027626     0.543354   0.000000   )
+     freq (    3) =       5.463273 [THz] =     182.235175 [cm-1]
+ ( -0.090936   0.419005     0.090936  -0.419005     0.090936  -0.419005   )
+ (  0.386651  -0.000000    -0.386651   0.000000    -0.386651   0.000000   )
+     freq (    4) =       6.831425 [THz] =     227.871807 [cm-1]
+ (  0.085213  -0.392637    -0.085213   0.392637    -0.085213   0.392637   )
+ (  0.414619  -0.000000    -0.414619  -0.000000    -0.414619   0.000000   )
+     freq (    5) =       7.332107 [THz] =     244.572768 [cm-1]
+ (  0.227013   0.367851     0.376006   0.370421    -0.148993  -0.002569   )
+ ( -0.239159  -0.372986    -0.391903  -0.372986     0.152744   0.000000   )
+     freq (    6) =       7.332107 [THz] =     244.572768 [cm-1]
+ (  0.356775   0.104693    -0.193500   0.095203     0.550275   0.009489   )
+ ( -0.367497  -0.100990     0.196629  -0.100990    -0.564126   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =       1.523263 [THz] =      50.810599 [cm-1]
+ (  0.545914  -0.005309     0.497239  -0.005838     0.048676   0.000529   )
+ (  0.496014  -0.010214     0.451778  -0.010214     0.044236   0.000000   )
+     freq (    2) =       1.523263 [THz] =      50.810599 [cm-1]
+ (  0.258977   0.003722    -0.343286  -0.002821     0.602264   0.006543   )
+ (  0.235367   0.000825    -0.311968   0.000825     0.547335   0.000000   )
+     freq (    3) =       5.668305 [THz] =     189.074308 [cm-1]
+ ( -0.197912   0.385478     0.197912  -0.385478     0.197912  -0.385478   )
+ (  0.381537  -0.000000    -0.381537   0.000000    -0.381537   0.000000   )
+     freq (    4) =       6.687630 [THz] =     223.075311 [cm-1]
+ (  0.181234  -0.352995    -0.181234   0.352995    -0.181234   0.352995   )
+ (  0.419382   0.000000    -0.419382  -0.000000    -0.419382   0.000000   )
+     freq (    5) =       7.336831 [THz] =     244.730331 [cm-1]
+ (  0.294452   0.001260    -0.275854  -0.004936     0.570307   0.006196   )
+ ( -0.301535   0.001985     0.282531   0.001985    -0.584066   0.000000   )
+     freq (    6) =       7.336831 [THz] =     244.730331 [cm-1]
+ (  0.479086  -0.095814     0.490031  -0.095695    -0.010945  -0.000119   )
+ ( -0.489521   0.103444    -0.500730   0.103444     0.011209   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =       1.527936 [THz] =      50.966449 [cm-1]
+ (  0.472126  -0.007520     0.562322  -0.007048    -0.090196  -0.000471   )
+ (  0.429303  -0.009083     0.511326  -0.009083    -0.082024   0.000000   )
+     freq (    2) =       1.527936 [THz] =      50.966449 [cm-1]
+ (  0.376750   0.000461    -0.220540  -0.002661     0.597290   0.003122   )
+ (  0.342608  -0.001372    -0.200565  -0.001372     0.543174   0.000000   )
+     freq (    3) =       5.829206 [THz] =     194.441369 [cm-1]
+ ( -0.343380   0.275184     0.343380  -0.275184     0.343380  -0.275184   )
+ (  0.373761  -0.000000    -0.373761   0.000000    -0.373761   0.000000   )
+     freq (    4) =       6.563659 [THz] =     218.940090 [cm-1]
+ (  0.303716  -0.243397    -0.303716   0.243397    -0.303716   0.243397   )
+ (  0.426436   0.000000    -0.426436  -0.000000    -0.426436   0.000000   )
+     freq (    5) =       7.340224 [THz] =     244.843530 [cm-1]
+ ( -0.445781  -0.121454    -0.506443  -0.121771     0.060662   0.000317   )
+ (  0.456831   0.121903     0.518909   0.121903    -0.062078   0.000000   )
+     freq (    6) =       7.340224 [THz] =     244.843530 [cm-1]
+ ( -0.334606  -0.014485     0.232804  -0.011519    -0.567410  -0.002966   )
+ (  0.342490   0.013033    -0.238174   0.013033     0.580664   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =       1.529381 [THz] =      51.014666 [cm-1]
+ (  0.574069  -0.000000     0.449654  -0.000000     0.124415  -0.000000   )
+ (  0.522185  -0.000000     0.409015  -0.000000     0.113170   0.000000   )
+     freq (    2) =       1.529381 [THz] =      51.014666 [cm-1]
+ (  0.187777   0.000000    -0.403269   0.000000     0.591047  -0.000000   )
+ (  0.170806   0.000000    -0.366822   0.000000     0.537628   0.000000   )
+     freq (    3) =       5.897276 [THz] =     196.711946 [cm-1]
+ ( -0.444827  -0.000000     0.444827   0.000000     0.444827   0.000000   )
+ (  0.368052   0.000000    -0.368052  -0.000000    -0.368052   0.000000   )
+     freq (    4) =       6.507930 [THz] =     217.081192 [cm-1]
+ (  0.383621   0.000000    -0.383621  -0.000000    -0.383621  -0.000000   )
+ (  0.431472   0.000000    -0.431472   0.000000    -0.431472   0.000000   )
+     freq (    5) =       7.341453 [THz] =     244.884497 [cm-1]
+ ( -0.217092   0.000000     0.348565  -0.000000    -0.565657   0.000000   )
+ (  0.222102  -0.000000    -0.356609  -0.000000     0.578711   0.000000   )
+     freq (    6) =       7.341453 [THz] =     244.884497 [cm-1]
+ (  0.527826   0.000000     0.451920   0.000000     0.075906  -0.000000   )
+ ( -0.540007  -0.000000    -0.462350  -0.000000    -0.077658   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5000      0.4750
+ **************************************************************************
+     freq (    1) =       1.536873 [THz] =      51.264563 [cm-1]
+ (  0.299436   0.037253     0.599658   0.077003    -0.299133  -0.039611   )
+ (  0.273629   0.026998     0.548133   0.026975    -0.274958   0.000000   )
+     freq (    2) =       1.551079 [THz] =      51.738435 [cm-1]
+ (  0.520646   0.053359     0.001096  -0.013681     0.522503   0.030170   )
+ (  0.475104   0.001295    -0.000031   0.022812     0.475106   0.000000   )
+     freq (    3) =       5.885192 [THz] =     196.308870 [cm-1]
+ ( -0.444341  -0.000658     0.446023   0.002749     0.444315   0.004818   )
+ (  0.363915  -0.053049    -0.367385   0.026637    -0.367761   0.000000   )
+     freq (    4) =       6.504069 [THz] =     216.952392 [cm-1]
+ (  0.383148   0.036936    -0.382699  -0.001880    -0.383492   0.033170   )
+ (  0.427160  -0.063360    -0.428074   0.031575    -0.431833   0.000000   )
+     freq (    5) =       7.338604 [THz] =     244.789477 [cm-1]
+ (  0.287164  -0.000447     0.567375   0.036852    -0.284694  -0.037590   )
+ ( -0.291662   0.007981    -0.584359   0.007994     0.291771   0.000000   )
+     freq (    6) =       7.344495 [THz] =     244.985979 [cm-1]
+ ( -0.492497   0.001207     0.000158   0.034079    -0.492487   0.003353   )
+ (  0.499223  -0.083815     0.002914   0.034958     0.506210   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5000      0.4500
+ **************************************************************************
+     freq (    1) =       1.559217 [THz] =      52.009873 [cm-1]
+ (  0.291704   0.074042     0.586610   0.153476    -0.290589  -0.078305   )
+ (  0.270373   0.054142     0.544252   0.053957    -0.275741   0.000000   )
+     freq (    2) =       1.613390 [THz] =      53.816884 [cm-1]
+ (  0.513278   0.106674     0.004423  -0.027476     0.520824   0.059796   )
+ (  0.472970   0.002394    -0.000117   0.046323     0.472976   0.000000   )
+     freq (    3) =       5.849624 [THz] =     195.122458 [cm-1]
+ ( -0.442989  -0.003488     0.449346   0.005948     0.442926   0.008240   )
+ (  0.351871  -0.104116    -0.365299   0.052911    -0.366952   0.000000   )
+     freq (    4) =       6.492658 [THz] =     216.571759 [cm-1]
+ (  0.381475   0.073706    -0.379897  -0.004713    -0.383186   0.064220   )
+ (  0.414995  -0.123547    -0.418401   0.060958    -0.432995   0.000000   )
+     freq (    5) =       7.330237 [THz] =     244.510391 [cm-1]
+ (  0.292355   0.000162     0.557470   0.073152    -0.282499  -0.075271   )
+ ( -0.290772   0.015486    -0.585759   0.015587     0.291184   0.000000   )
+     freq (    6) =       7.353195 [THz] =     245.276180 [cm-1]
+ ( -0.487382   0.000604     0.000397   0.067840    -0.487356   0.005106   )
+ (  0.481031  -0.162552     0.011105   0.067549     0.507754   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5000      0.4250
+ **************************************************************************
+     freq (    1) =       1.595990 [THz] =      53.236490 [cm-1]
+ (  0.278684   0.109852     0.564781   0.228874    -0.276538  -0.115148   )
+ (  0.264848   0.081578     0.537612   0.080921    -0.277128   0.000000   )
+     freq (    2) =       1.708963 [THz] =      57.004869 [cm-1]
+ ( -0.500752  -0.159880    -0.010098   0.041455    -0.518184  -0.088311   )
+ ( -0.469284  -0.003103     0.000236  -0.071257    -0.469294   0.000000   )
+     freq (    3) =       5.792597 [THz] =     193.220243 [cm-1]
+ (  0.441000   0.010226    -0.454021  -0.009860    -0.441028  -0.008929   )
+ ( -0.332881   0.151785     0.361566  -0.078543     0.365853   0.000000   )
+     freq (    4) =       6.474169 [THz] =     215.955025 [cm-1]
+ (  0.377989   0.110183    -0.375123  -0.009185    -0.382929   0.091551   )
+ (  0.396895  -0.178327    -0.403763   0.086539    -0.435117   0.000000   )
+     freq (    5) =       7.316855 [THz] =     244.064007 [cm-1]
+ (  0.300347   0.002719     0.541439   0.108345    -0.278266  -0.113065   )
+ ( -0.289208   0.022093    -0.588143   0.022432     0.290050   0.000000   )
+     freq (    6) =       7.366388 [THz] =     245.716267 [cm-1]
+ (  0.479362   0.003049    -0.000116  -0.101075     0.479354  -0.004145   )
+ ( -0.453981   0.232624    -0.023177  -0.096054    -0.510110   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.5000      0.4000
+ **************************************************************************
+     freq (    1) =       1.646402 [THz] =      54.918063 [cm-1]
+ (  0.260189   0.144060     0.534054   0.302623    -0.257292  -0.149172   )
+ (  0.256901   0.109452     0.527950   0.107779    -0.279245   0.000000   )
+     freq (    2) =       1.828088 [THz] =      60.978439 [cm-1]
+ ( -0.482687  -0.212859    -0.018278   0.055594    -0.514827  -0.115103   )
+ ( -0.463834  -0.003235     0.000343  -0.098378    -0.463845   0.000000   )
+     freq (    3) =       5.717412 [THz] =     190.712352 [cm-1]
+ (  0.438554   0.021948    -0.458852  -0.014453    -0.439066  -0.005696   )
+ ( -0.308130   0.195483     0.355844  -0.103354     0.364908   0.000000   )
+     freq (    4) =       6.449260 [THz] =     215.124165 [cm-1]
+ (  0.372038   0.146252    -0.368268  -0.015574    -0.383058   0.114318   )
+ (  0.375066  -0.226761    -0.385718   0.107537    -0.438286   0.000000   )
+     freq (    5) =       7.299193 [THz] =     243.474881 [cm-1]
+ (  0.310296   0.007829     0.519925   0.141883    -0.271261  -0.150872   )
+ ( -0.286861   0.027482    -0.591582   0.028272     0.288175   0.000000   )
+     freq (    6) =       7.382459 [THz] =     246.252318 [cm-1]
+ (  0.468903   0.010167     0.001443  -0.133726     0.469013  -0.000047   )
+ ( -0.421480   0.292539    -0.037457  -0.119658    -0.513054   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.5000      0.3750
+ **************************************************************************
+     freq (    1) =       1.709204 [THz] =      57.012901 [cm-1]
+ (  0.235979   0.175869     0.494273   0.374113    -0.233339  -0.179356   )
+ (  0.246301   0.137901     0.514875   0.134326    -0.282278   0.000000   )
+     freq (    2) =       1.960679 [THz] =      65.401225 [cm-1]
+ ( -0.458524  -0.265410    -0.029108   0.069702    -0.511099  -0.139516   )
+ ( -0.456286  -0.002643     0.000372  -0.128504    -0.456293   0.000000   )
+     freq (    3) =       5.628580 [THz] =     187.749233 [cm-1]
+ ( -0.435664  -0.039105     0.462367   0.019434     0.437409  -0.002407   )
+ (  0.278664  -0.235375    -0.347689   0.127189    -0.364767   0.000000   )
+     freq (    4) =       6.418659 [THz] =     214.103429 [cm-1]
+ ( -0.363183  -0.181749     0.359249   0.023752     0.383950  -0.132351   )
+ ( -0.351313   0.268936     0.365606  -0.123874     0.442434   0.000000   )
+     freq (    5) =       7.278111 [THz] =     242.771637 [cm-1]
+ (  0.321267   0.015755     0.493688   0.173233    -0.260671  -0.188444   )
+ ( -0.283607   0.031454    -0.596163   0.032958     0.285346   0.000000   )
+     freq (    6) =       7.399653 [THz] =     246.825847 [cm-1]
+ (  0.456310   0.020446     0.004988  -0.165838     0.456714   0.007013   )
+ ( -0.386428   0.342541    -0.052469  -0.138290    -0.516392   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.5000      0.3500
+ **************************************************************************
+     freq (    1) =       1.782607 [THz] =      59.461370 [cm-1]
+ (  0.205799   0.204231     0.445248   0.442685    -0.205415  -0.204616   )
+ (  0.232736   0.167048     0.497854   0.160176    -0.286480   0.000000   )
+     freq (    2) =       2.097403 [THz] =      69.961848 [cm-1]
+ ( -0.427501  -0.317195    -0.042602   0.083315    -0.507435  -0.160871   )
+ ( -0.446149  -0.001281     0.000233  -0.162487    -0.446151   0.000000   )
+     freq (    3) =       5.531744 [THz] =     184.519124 [cm-1]
+ ( -0.432156  -0.061745     0.462992   0.024401     0.436252  -0.015978   )
+ (  0.245194  -0.271995    -0.336569   0.149732    -0.366199   0.000000   )
+     freq (    4) =       6.383071 [THz] =     212.916337 [cm-1]
+ (  0.351282   0.216441    -0.348027  -0.033298    -0.385951   0.145904   )
+ (  0.326799  -0.305486    -0.344346   0.135882    -0.447347   0.000000   )
+     freq (    5) =       7.254489 [THz] =     241.983700 [cm-1]
+ (  0.332392   0.026434     0.463506   0.201891    -0.245735  -0.225383   )
+ ( -0.279306   0.033932    -0.601981   0.036432     0.281360   0.000000   )
+     freq (    6) =       7.416325 [THz] =     247.381980 [cm-1]
+ ( -0.441691  -0.033135    -0.011081   0.197493    -0.442625  -0.016484   )
+ (  0.350789  -0.383854     0.067135   0.152299     0.519997   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.5000      0.3250
+ **************************************************************************
+     freq (    1) =       1.864243 [THz] =      62.184458 [cm-1]
+ (  0.169439   0.227735     0.386773   0.507613    -0.174605  -0.223799   )
+ (  0.215801   0.196979     0.476185   0.184649    -0.292183   0.000000   )
+     freq (    2) =       2.230110 [THz] =      74.388449 [cm-1]
+ ( -0.388632  -0.367675    -0.058449   0.095547    -0.504314  -0.178570   )
+ ( -0.432752   0.000672    -0.000156  -0.201160    -0.432753   0.000000   )
+     freq (    3) =       5.433534 [THz] =     181.243199 [cm-1]
+ ( -0.427679  -0.089772     0.459176   0.029072     0.435586  -0.035116   )
+ (  0.208186  -0.305813    -0.321946   0.170298    -0.369950   0.000000   )
+     freq (    4) =       6.343125 [THz] =     211.583886 [cm-1]
+ (  0.336442   0.250062    -0.334608  -0.043635    -0.389319   0.155419   )
+ (  0.302122  -0.337200    -0.322453   0.144039    -0.452748   0.000000   )
+     freq (    5) =       7.229171 [THz] =     241.139203 [cm-1]
+ (  0.342986   0.039564     0.430086   0.227373    -0.225837  -0.261155   )
+ ( -0.273809   0.034939    -0.609127   0.038707     0.276029   0.000000   )
+     freq (    6) =       7.431088 [THz] =     247.874423 [cm-1]
+ ( -0.424994  -0.047287    -0.020125   0.228754    -0.426722  -0.027644   )
+ (  0.315638  -0.418022     0.080752   0.162160     0.523803   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.5000      0.3000
+ **************************************************************************
+     freq (    1) =       1.951159 [THz] =      65.083658 [cm-1]
+ ( -0.126868  -0.244471    -0.318660  -0.568070     0.142489   0.235708   )
+ ( -0.195021  -0.227691    -0.448989  -0.206604     0.299794  -0.000000   )
+     freq (    2) =       2.352036 [THz] =      78.455473 [cm-1]
+ ( -0.340688  -0.416018    -0.075718   0.104908    -0.502152  -0.192307   )
+ ( -0.415236   0.002608    -0.000770  -0.245208    -0.415244   0.000000   )
+     freq (    3) =       5.341243 [THz] =     178.164700 [cm-1]
+ ( -0.421668  -0.123081     0.449502   0.033506     0.435256  -0.059206   )
+ (  0.168175  -0.336925    -0.303459   0.187691    -0.376566   0.000000   )
+     freq (    4) =       6.299352 [THz] =     210.123756 [cm-1]
+ (  0.318917   0.282362    -0.319027  -0.054133    -0.394208   0.161357   )
+ (  0.277513  -0.364806    -0.300141   0.148793    -0.458364   0.000000   )
+     freq (    5) =       7.202937 [THz] =     240.264126 [cm-1]
+ (  0.352594   0.054720     0.394016   0.249190    -0.200560  -0.295114   )
+ ( -0.266943   0.034568    -0.617680   0.039827     0.269172   0.000000   )
+     freq (    6) =       7.442884 [THz] =     248.267889 [cm-1]
+ ( -0.406080  -0.061930    -0.032387   0.259620    -0.408849  -0.039731   )
+ (  0.281415  -0.446506     0.092870   0.168308     0.527790   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.5000      0.2750
+ **************************************************************************
+     freq (    1) =       2.039845 [THz] =      68.041897 [cm-1]
+ ( -0.078509  -0.251885    -0.240848  -0.623041     0.111328   0.239198   )
+ ( -0.169929  -0.258988    -0.415244  -0.224194     0.309759   0.000000   )
+     freq (    2) =       2.458142 [THz] =      81.994781 [cm-1]
+ (  0.282183   0.460966     0.092463  -0.109169     0.501122   0.202468   )
+ (  0.392607  -0.003241     0.001217   0.294951     0.392620   0.000000   )
+     freq (    3) =       5.262198 [THz] =     175.528018 [cm-1]
+ (  0.413262   0.161487    -0.432835  -0.038157    -0.435141   0.086696   )
+ ( -0.126217   0.364991     0.281176  -0.200280     0.386199   0.000000   )
+     freq (    4) =       6.252180 [THz] =     208.550270 [cm-1]
+ (  0.299023   0.313141    -0.301332  -0.064182    -0.400675   0.164110   )
+ (  0.253015  -0.388896    -0.277442   0.150489    -0.463958   0.000000   )
+     freq (    5) =       7.176501 [THz] =     239.382310 [cm-1]
+ (  0.360985   0.071465     0.355768   0.266806    -0.169706  -0.326523   )
+ ( -0.258512   0.032953    -0.627689   0.039845     0.260604   0.000000   )
+     freq (    6) =       7.451011 [THz] =     248.538973 [cm-1]
+ ( -0.384779  -0.076146    -0.048041   0.290007    -0.388779  -0.051997   )
+ (  0.248198  -0.470517     0.103167   0.171062     0.531966   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.5000      0.2500
+ **************************************************************************
+     freq (    1) =       2.126299 [THz] =      70.925702 [cm-1]
+ (  0.025777   0.246773     0.153685   0.671158    -0.084176  -0.233400   )
+ (  0.140302   0.290292     0.373970   0.234613    -0.322419   0.000000   )
+     freq (    2) =       2.545714 [THz] =      84.915884 [cm-1]
+ ( -0.211380  -0.500574    -0.105349   0.105488    -0.500851  -0.210721   )
+ ( -0.363848   0.000479    -0.000230  -0.349987    -0.363848   0.000000   )
+     freq (    3) =       5.202789 [THz] =     173.546347 [cm-1]
+ (  0.401274   0.204438    -0.408553  -0.043660    -0.435413   0.115026   )
+ ( -0.084201   0.389462     0.255764  -0.206378     0.398460   0.000000   )
+     freq (    4) =       6.201954 [THz] =     206.874910 [cm-1]
+ ( -0.277079  -0.342257     0.281568   0.073208     0.408694  -0.163957   )
+ ( -0.228603   0.409905     0.254296  -0.149349     0.469342   0.000000   )
+     freq (    5) =       7.150525 [THz] =     238.515830 [cm-1]
+ ( -0.368093  -0.089443    -0.315737  -0.279601     0.133307   0.354572   )
+ (  0.248284  -0.030252     0.639159  -0.038796    -0.250120   0.000000   )
+     freq (    6) =       7.455124 [THz] =     248.676157 [cm-1]
+ ( -0.360920  -0.089102    -0.067196   0.319716    -0.366253  -0.063730   )
+ (  0.215918  -0.490975     0.111352   0.170613     0.536355   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.5000      0.2250
+ **************************************************************************
+     freq (    1) =       2.206185 [THz] =      73.590417 [cm-1]
+ ( -0.028056   0.225814     0.058531   0.710468    -0.064633  -0.218178   )
+ (  0.106682   0.320342     0.324718   0.234112    -0.337639   0.000000   )
+     freq (    2) =       2.615018 [THz] =      87.227624 [cm-1]
+ ( -0.126446  -0.531656    -0.109636   0.091287    -0.499959  -0.220653   )
+ ( -0.328044  -0.008221     0.005119  -0.408614    -0.328147   0.000000   )
+     freq (    3) =       5.167334 [THz] =     172.363706 [cm-1]
+ (  0.384342   0.250702    -0.376792  -0.050380    -0.436705   0.140922   )
+ ( -0.044767   0.409994     0.228442  -0.204856     0.412431   0.000000   )
+     freq (    4) =       6.148956 [THz] =     205.107082 [cm-1]
+ (  0.253375   0.369614    -0.259775  -0.080675    -0.418179   0.161059   )
+ (  0.204254  -0.428130    -0.230615   0.145493    -0.474358   0.000000   )
+     freq (    5) =       7.125625 [THz] =     237.685280 [cm-1]
+ ( -0.373937  -0.108433    -0.274319  -0.286843     0.091642   0.378403   )
+ (  0.235996  -0.026650     0.652028  -0.036699    -0.237496   0.000000   )
+     freq (    6) =       7.455217 [THz] =     248.679287 [cm-1]
+ (  0.334350   0.100045     0.089913  -0.348410     0.341009   0.074242   )
+ ( -0.184500   0.508544    -0.117093  -0.167042    -0.540978   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.5000      0.2000
+ **************************************************************************
+     freq (    1) =       2.275272 [THz] =      75.894902 [cm-1]
+ ( -0.077035   0.187368    -0.041290   0.738372    -0.055664  -0.194789   )
+ (  0.071217   0.346980     0.268541   0.219022    -0.354213   0.000000   )
+     freq (    2) =       2.669374 [THz] =      89.040716 [cm-1]
+ (  0.026282   0.548914     0.100215  -0.066445     0.495386   0.237886   )
+ (  0.284570   0.024443    -0.020015   0.466897     0.285618   0.000000   )
+     freq (    3) =       5.157223 [THz] =     172.026449 [cm-1]
+ ( -0.361293  -0.298274     0.338526   0.057980     0.439961  -0.161042   )
+ (  0.010711  -0.426783    -0.200614   0.195642    -0.426918   0.000000   )
+     freq (    4) =       6.093431 [THz] =     203.254994 [cm-1]
+ ( -0.228169  -0.395140     0.235999   0.086075     0.428987  -0.155458   )
+ ( -0.179978   0.443754     0.206327  -0.138969     0.478863   0.000000   )
+     freq (    5) =       7.102375 [THz] =     236.909725 [cm-1]
+ ( -0.378541  -0.128365    -0.232005  -0.287684     0.045259   0.397143   )
+ (  0.221358  -0.022366     0.666140  -0.033568    -0.222485   0.000000   )
+     freq (    6) =       7.451601 [THz] =     248.558664 [cm-1]
+ ( -0.304949  -0.108274    -0.116203   0.375577    -0.312812  -0.082860   )
+ (  0.153968  -0.523681     0.119991   0.160348     0.545846   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.5000      0.1750
+ **************************************************************************
+     freq (    1) =       2.330422 [THz] =      77.734501 [cm-1]
+ ( -0.113216   0.134594    -0.139943   0.752432    -0.057254  -0.166300   )
+ (  0.038169   0.367584     0.209081   0.188495    -0.369560   0.000000   )
+     freq (    2) =       2.713882 [THz] =      90.525371 [cm-1]
+ ( -0.087251   0.544767     0.074619  -0.036201     0.481882   0.268650   )
+ (  0.233725   0.046445    -0.050956   0.517870     0.238295   0.000000   )
+     freq (    3) =       5.170837 [THz] =     172.480558 [cm-1]
+ ( -0.331513  -0.344692     0.295352   0.065332     0.445963  -0.172715   )
+ ( -0.015801  -0.440565    -0.173409   0.179740    -0.440848   0.000000   )
+     freq (    4) =       6.035612 [THz] =     201.326362 [cm-1]
+ ( -0.201695  -0.418771     0.210311   0.088911     0.440921  -0.147100   )
+ ( -0.155824   0.456862     0.181408  -0.129796     0.482705   0.000000   )
+     freq (    5) =       7.081284 [THz] =     236.206201 [cm-1]
+ ( -0.381845  -0.149307    -0.189483  -0.281192    -0.004975   0.409968   )
+ (  0.204066  -0.017669     0.681215  -0.029436    -0.204830   0.000000   )
+     freq (    6) =       7.444860 [THz] =     248.333784 [cm-1]
+ ( -0.272654  -0.113121    -0.146007   0.400497    -0.281484  -0.088899   )
+ (  0.124498  -0.536688     0.119572   0.150485     0.550939   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.5000      0.1500
+ **************************************************************************
+     freq (    1) =       2.370954 [THz] =      79.086499 [cm-1]
+ ( -0.130354   0.077027    -0.230730   0.752333    -0.064757  -0.136865   )
+ (  0.012625   0.380597     0.152264   0.147297    -0.380807   0.000000   )
+     freq (    2) =       2.752946 [THz] =      91.828395 [cm-1]
+ ( -0.206677   0.512098     0.037101  -0.011031     0.452886   0.315997   )
+ (  0.178035   0.067926    -0.101873   0.552795     0.190553   0.000000   )
+     freq (    3) =       5.204329 [THz] =     173.597740 [cm-1]
+ ( -0.295112  -0.387531     0.249116   0.070810     0.454828  -0.174364   )
+ ( -0.033731  -0.452313    -0.147384   0.158785    -0.453569   0.000000   )
+     freq (    4) =       5.975727 [THz] =     199.328800 [cm-1]
+ ( -0.174173  -0.440443     0.182844   0.088695     0.453728  -0.135859   )
+ ( -0.131877   0.467462     0.155886  -0.117993     0.485709   0.000000   )
+     freq (    5) =       7.062776 [THz] =     235.588840 [cm-1]
+ ( -0.383632  -0.171417    -0.147725  -0.266439    -0.057839   0.416187   )
+ (  0.183831  -0.012892     0.696820  -0.024405    -0.184282   0.000000   )
+     freq (    6) =       7.435805 [THz] =     248.031741 [cm-1]
+ ( -0.237495  -0.113915    -0.179158   0.422203    -0.246942  -0.091653   )
+ (  0.096459  -0.547768     0.115321   0.137402     0.556196   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.5000      0.1250
+ **************************************************************************
+     freq (    1) =       2.399132 [THz] =      80.026425 [cm-1]
+ ( -0.128005   0.026588    -0.309758   0.740888    -0.070988  -0.109785   )
+ ( -0.002556   0.386853     0.103644   0.104331    -0.386862   0.000000   )
+     freq (    2) =       2.788300 [THz] =      93.007689 [cm-1]
+ ( -0.319467   0.449494    -0.001049   0.000107     0.403614   0.375766   )
+ (  0.122899   0.080901    -0.169421   0.565498     0.147137   0.000000   )
+     freq (    3) =       5.252843 [THz] =     175.215996 [cm-1]
+ ( -0.252812  -0.424773     0.201611   0.072734     0.465774  -0.165534   )
+ ( -0.043144  -0.462898    -0.122528   0.134479    -0.464904   0.000000   )
+     freq (    4) =       5.913999 [THz] =     197.269758 [cm-1]
+ ( -0.145826  -0.460100     0.153816   0.084955     0.467094  -0.121574   )
+ ( -0.108248   0.475486     0.129858  -0.103617     0.487652   0.000000   )
+     freq (    5) =       7.047155 [THz] =     235.067784 [cm-1]
+ ( -0.383468  -0.194870    -0.108052  -0.242653    -0.111727   0.415378   )
+ (  0.160417  -0.008425     0.712349  -0.018693    -0.160638   0.000000   )
+     freq (    6) =       7.425419 [THz] =     247.685306 [cm-1]
+ ( -0.199665  -0.109973    -0.215318   0.439469    -0.209264  -0.090382   )
+ (  0.070421  -0.557050     0.106747   0.121091     0.561483   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.5000      0.1000
+ **************************************************************************
+     freq (    1) =       2.418775 [THz] =      80.681634 [cm-1]
+ ( -0.110973  -0.008749    -0.377603   0.722001    -0.070490  -0.086155   )
+ ( -0.008271   0.388809     0.065869   0.067285    -0.388897   0.000000   )
+     freq (    2) =       2.819249 [THz] =      94.040032 [cm-1]
+ ( -0.413069   0.364035    -0.027766  -0.002714     0.334759   0.437131   )
+ (  0.074954   0.080845    -0.242899   0.556434     0.110246   0.000000   )
+     freq (    3) =       5.311603 [THz] =     177.176018 [cm-1]
+ (  0.205731   0.454881    -0.154480  -0.069719    -0.477215   0.146657   )
+ (  0.044866   0.472944     0.098465  -0.108248     0.475067   0.000000   )
+     freq (    4) =       5.850635 [THz] =     195.156170 [cm-1]
+ ( -0.116885  -0.477743     0.123564   0.077262     0.480693  -0.104090   )
+ ( -0.085063   0.480757     0.103476  -0.086774     0.488224   0.000000   )
+     freq (    5) =       7.034580 [THz] =     234.648326 [cm-1]
+ ( -0.380674  -0.219753    -0.072110  -0.209433    -0.164694   0.407529   )
+ (  0.133711  -0.004665     0.727027  -0.012680    -0.133792   0.000000   )
+     freq (    6) =       7.414788 [THz] =     247.330694 [cm-1]
+ ( -0.159607  -0.100611    -0.253889   0.450825    -0.168779  -0.084324   )
+ (  0.047148  -0.564617     0.093500   0.101633     0.566582   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.5000      0.0750
+ **************************************************************************
+     freq (    1) =       2.433107 [THz] =      81.159726 [cm-1]
+ ( -0.085404  -0.026801    -0.437340   0.698007    -0.061370  -0.065160   )
+ ( -0.007729   0.388791     0.038721   0.039498    -0.388868   0.000000   )
+     freq (    2) =       2.844293 [THz] =      94.875406 [cm-1]
+ ( -0.480397   0.268845    -0.037272  -0.011155     0.253725   0.488552   )
+ (  0.039147   0.068695    -0.309667   0.532889     0.079066   0.000000   )
+     freq (    3) =       5.376580 [THz] =     179.343388 [cm-1]
+ (  0.155191   0.476603    -0.109240  -0.060871    -0.486954   0.118787   )
+ (  0.040090   0.482967     0.074694  -0.081151     0.484628   0.000000   )
+     freq (    4) =       5.785812 [THz] =     192.993919 [cm-1]
+ ( -0.087600  -0.493574     0.092551   0.065254     0.494321  -0.083282   )
+ ( -0.062478   0.482855     0.076939  -0.067625     0.486880   0.000000   )
+     freq (    5) =       7.025057 [THz] =     234.330664 [cm-1]
+ ( -0.374350  -0.245950    -0.041749  -0.167005    -0.214580   0.393173   )
+ (  0.103794  -0.001940     0.739936  -0.006914    -0.103812   0.000000   )
+     freq (    6) =       7.405021 [THz] =     247.004901 [cm-1]
+ ( -0.118124  -0.085201    -0.293926   0.454646    -0.126181  -0.072740   )
+ (  0.027552  -0.570515     0.075523   0.079259     0.571180   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.5000      0.0500
+ **************************************************************************
+     freq (    1) =       2.443640 [THz] =      81.511042 [cm-1]
+ ( -0.056273  -0.029087    -0.491976   0.669050    -0.044539  -0.045044   )
+ ( -0.004450   0.388215     0.020441   0.020676    -0.388240   0.000000   )
+     freq (    2) =       2.862371 [THz] =      95.478404 [cm-1]
+ ( -0.521734   0.177897    -0.031575  -0.015740     0.171975   0.523716   )
+ (  0.016756   0.048644    -0.360639   0.505661     0.051449   0.000000   )
+     freq (    3) =       5.444732 [THz] =     181.616716 [cm-1]
+ (  0.102596   0.488272    -0.067317  -0.045847    -0.491919   0.083374   )
+ (  0.030096   0.494064     0.050756  -0.053942     0.494980   0.000000   )
+     freq (    4) =       5.719676 [THz] =     190.787868 [cm-1]
+ (  0.058240   0.508576    -0.061362  -0.048670    -0.508480   0.059070   )
+ (  0.040694  -0.480507    -0.050475   0.046381    -0.482227   0.000000   )
+     freq (    5) =       7.018464 [THz] =     234.110776 [cm-1]
+ ( -0.363476  -0.273043    -0.018775  -0.116461    -0.259255   0.373436   )
+ (  0.071028  -0.000392     0.750103  -0.002069    -0.071029   0.000000   )
+     freq (    6) =       7.397156 [THz] =     246.742559 [cm-1]
+ ( -0.076477  -0.063290    -0.334057   0.449343    -0.082639  -0.055001   )
+ (  0.012608  -0.574752     0.053213   0.054393     0.574890   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.5000      0.0250
+ **************************************************************************
+     freq (    1) =       2.450378 [THz] =      81.735815 [cm-1]
+ ( -0.027051  -0.018806    -0.543248   0.633958    -0.022728  -0.023850   )
+ ( -0.001269   0.387723     0.008538   0.008566    -0.387725   0.000000   )
+     freq (    2) =       2.873146 [THz] =      95.837835 [cm-1]
+ ( -0.542660   0.101876    -0.017001  -0.011657     0.100555   0.542906   )
+ (  0.005349   0.024898    -0.391753   0.484862     0.025466   0.000000   )
+     freq (    3) =       5.513926 [THz] =     183.924775 [cm-1]
+ ( -0.049365  -0.483397     0.030035   0.024848     0.484086  -0.042080   )
+ ( -0.016081  -0.512012    -0.026327   0.027167    -0.512265   0.000000   )
+     freq (    4) =       5.652421 [THz] =     188.544466 [cm-1]
+ ( -0.029065  -0.528312     0.030681   0.027360     0.528180  -0.031374   )
+ ( -0.020001   0.467150     0.024307  -0.023289     0.467578   0.000000   )
+     freq (    5) =       7.014619 [THz] =     233.982518 [cm-1]
+ ( -0.347106  -0.300274    -0.004616  -0.059843    -0.296953   0.349951   )
+ (  0.036101   0.000113     0.756634   0.001181    -0.036101   0.000000   )
+     freq (    6) =       7.392053 [THz] =     246.572346 [cm-1]
+ ( -0.036400  -0.034762    -0.372480   0.433670    -0.039858  -0.030736   )
+ (  0.003210  -0.577311     0.027534   0.027688     0.577320   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.0000
+ **************************************************************************
+     freq (    1) =       2.452730 [THz] =      81.814253 [cm-1]
+ (  0.000000  -0.000000     0.591448  -0.591448    -0.000000  -0.000000   )
+ ( -0.000000  -0.387543     0.000000  -0.000000     0.387543  -0.000000   )
+     freq (    2) =       2.876707 [THz] =      95.956630 [cm-1]
+ (  0.472945  -0.285703    -0.000000   0.000000    -0.285703  -0.472945   )
+ (  0.000000  -0.000000     0.149526  -0.605834    -0.000000   0.000000   )
+     freq (    3) =       5.576594 [THz] =     186.015157 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.000000   0.707107     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    4) =       5.590516 [THz] =     186.479554 [cm-1]
+ ( -0.460179   0.536875     0.000000  -0.000000    -0.536875  -0.460179   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    5) =       7.013359 [THz] =     233.940479 [cm-1]
+ (  0.087924   0.452007    -0.000000   0.000000     0.452007  -0.087924   )
+ (  0.000000  -0.000000    -0.629207  -0.424284     0.000000   0.000000   )
+     freq (    6) =       7.390285 [THz] =     246.513366 [cm-1]
+ (  0.000000   0.000000     0.407089  -0.407089     0.000000   0.000000   )
+ ( -0.000000   0.578168    -0.000000  -0.000000    -0.578168   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.0000
+ **************************************************************************
+     freq (    1) =       2.449806 [THz] =      81.716719 [cm-1]
+ (  0.000000   0.000000    -0.613902   0.567485     0.000000  -0.000000   )
+ ( -0.000000   0.363035     0.000000  -0.000000    -0.411450   0.000000   )
+     freq (    2) =       2.870214 [THz] =      95.740023 [cm-1]
+ ( -0.476800  -0.190395    -0.000000   0.000000    -0.218586   0.547399   )
+ ( -0.000000   0.000000    -0.563014   0.268331    -0.000000   0.000000   )
+     freq (    3) =       5.580406 [THz] =     186.142309 [cm-1]
+ (  0.000000  -0.000000     0.018315  -0.016930     0.000000   0.000000   )
+ (  0.000000  -0.725746    -0.000000  -0.000000    -0.687510   0.000000   )
+     freq (    4) =       5.597718 [THz] =     186.719760 [cm-1]
+ (  0.348157  -0.652301    -0.000000   0.000000     0.593541   0.316795   )
+ (  0.000000   0.000000    -0.008300  -0.023890     0.000000   0.000000   )
+     freq (    5) =       7.013747 [THz] =     233.953414 [cm-1]
+ (  0.364679   0.269496     0.000000  -0.000000     0.277961  -0.376135   )
+ (  0.000000   0.000000    -0.745306   0.141984    -0.000000   0.000000   )
+     freq (    6) =       7.388780 [THz] =     246.463172 [cm-1]
+ (  0.000000   0.000000    -0.422854   0.390882     0.000000  -0.000000   )
+ (  0.000000  -0.571887    -0.000000   0.000000     0.584253   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.0000
+ **************************************************************************
+     freq (    1) =       2.441139 [THz] =      81.427627 [cm-1]
+ (  0.000000   0.000000    -0.634762   0.542138     0.000000  -0.000000   )
+ (  0.000000   0.338241     0.000000  -0.000000    -0.434462   0.000000   )
+     freq (    2) =       2.851070 [THz] =      95.101449 [cm-1]
+ ( -0.469522  -0.058108    -0.000000   0.000000    -0.076539   0.618450   )
+ ( -0.000000   0.000000    -0.459554   0.420292    -0.000000   0.000000   )
+     freq (    3) =       5.591741 [THz] =     186.520393 [cm-1]
+ ( -0.000000  -0.000000     0.037552  -0.032072     0.000000  -0.000000   )
+ ( -0.000000  -0.743380    -0.000000  -0.000000    -0.667043   0.000000   )
+     freq (    4) =       5.618958 [THz] =     187.428248 [cm-1]
+ (  0.083577   0.764427     0.000000  -0.000000    -0.633549   0.069268   )
+ (  0.000000  -0.000000     0.041190   0.028057    -0.000000   0.000000   )
+     freq (    5) =       7.014887 [THz] =     233.991457 [cm-1]
+ ( -0.142271  -0.423313     0.000000  -0.000000    -0.450372   0.151365   )
+ ( -0.000000   0.000000     0.703342   0.283070    -0.000000   0.000000   )
+     freq (    6) =       7.384271 [THz] =     246.312761 [cm-1]
+ ( -0.000000  -0.000000    -0.438174   0.374236    -0.000000   0.000000   )
+ ( -0.000000  -0.565276     0.000000   0.000000     0.590266   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.0000
+ **************************************************************************
+     freq (    1) =       2.427037 [THz] =      80.957246 [cm-1]
+ ( -0.000000  -0.000000    -0.653988   0.515563    -0.000000   0.000000   )
+ ( -0.000000   0.313469    -0.000000  -0.000000    -0.456324   0.000000   )
+     freq (    2) =       2.820235 [THz] =      94.072902 [cm-1]
+ (  0.195418   0.386084    -0.000000   0.000000     0.582768  -0.294970   )
+ (  0.000000   0.000000     0.609122   0.122860    -0.000000   0.000000   )
+     freq (    3) =       5.610302 [THz] =     187.139544 [cm-1]
+ ( -0.000000   0.000000    -0.057212   0.045103    -0.000000  -0.000000   )
+ ( -0.000000   0.760011     0.000000   0.000000     0.645814   0.000000   )
+     freq (    4) =       5.653200 [THz] =     188.570440 [cm-1]
+ ( -0.609806   0.510760     0.000000  -0.000000    -0.386294  -0.461204   )
+ ( -0.000000  -0.000000     0.002164   0.072965    -0.000000   0.000000   )
+     freq (    5) =       7.016713 [THz] =     234.052346 [cm-1]
+ ( -0.212722  -0.384948     0.000000  -0.000000    -0.422559   0.233506   )
+ (  0.000000   0.000000     0.747280   0.122706    -0.000000   0.000000   )
+     freq (    6) =       7.376773 [THz] =     246.062673 [cm-1]
+ ( -0.000000  -0.000000    -0.453053   0.357158    -0.000000   0.000000   )
+ (  0.000000  -0.558188     0.000000   0.000000     0.596328   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.0000
+ **************************************************************************
+     freq (    1) =       2.407989 [THz] =      80.321865 [cm-1]
+ (  0.000000   0.000000    -0.671584   0.487934     0.000000  -0.000000   )
+ (  0.000000   0.289006     0.000000  -0.000000    -0.476834   0.000000   )
+     freq (    2) =       2.779152 [THz] =      92.702530 [cm-1]
+ ( -0.264788  -0.290714    -0.000000   0.000000    -0.502112   0.457332   )
+ ( -0.000000   0.000000    -0.615985   0.068308    -0.000000   0.000000   )
+     freq (    3) =       5.635621 [THz] =     187.984085 [cm-1]
+ (  0.000000  -0.000000     0.076791  -0.055792     0.000000   0.000000   )
+ ( -0.000000  -0.775699    -0.000000  -0.000000    -0.623924   0.000000   )
+     freq (    4) =       5.698878 [THz] =     190.094117 [cm-1]
+ ( -0.607615   0.548679     0.000000  -0.000000    -0.379634  -0.420411   )
+ (  0.000000  -0.000000     0.009989   0.093748    -0.000000   0.000000   )
+     freq (    5) =       7.019113 [THz] =     234.132392 [cm-1]
+ (  0.295161   0.316899     0.000000  -0.000000     0.359056  -0.334426   )
+ ( -0.000000   0.000000    -0.750523   0.091699    -0.000000   0.000000   )
+     freq (    6) =       7.366317 [THz] =     245.713893 [cm-1]
+ (  0.000000   0.000000    -0.467495   0.339655     0.000000  -0.000000   )
+ ( -0.000000  -0.550462    -0.000000   0.000000     0.602557   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.0000
+ **************************************************************************
+     freq (    1) =       2.384629 [THz] =      79.542676 [cm-1]
+ (  0.000000   0.000000    -0.687588   0.459432     0.000000  -0.000000   )
+ (  0.000000   0.265093     0.000000  -0.000000    -0.495854   0.000000   )
+     freq (    2) =       2.729570 [THz] =      91.048666 [cm-1]
+ (  0.205524   0.289874     0.000000  -0.000000     0.572028  -0.405573   )
+ (  0.000000  -0.000000     0.617846  -0.017118     0.000000   0.000000   )
+     freq (    3) =       5.667083 [THz] =     189.033530 [cm-1]
+ (  0.000000  -0.000000     0.095792  -0.064006     0.000000   0.000000   )
+ ( -0.000000  -0.790558    -0.000000  -0.000000    -0.601452   0.000000   )
+     freq (    4) =       5.754087 [THz] =     191.935696 [cm-1]
+ ( -0.275168   0.792413     0.000000  -0.000000    -0.502994  -0.174666   )
+ (  0.000000  -0.000000     0.068387   0.090423    -0.000000   0.000000   )
+     freq (    5) =       7.021937 [THz] =     234.226604 [cm-1]
+ ( -0.404301  -0.134939    -0.000000   0.000000    -0.157917   0.473149   )
+ (  0.000000  -0.000000     0.596361  -0.462470     0.000000   0.000000   )
+     freq (    6) =       7.352949 [THz] =     245.267987 [cm-1]
+ (  0.000000   0.000000    -0.481510   0.321735     0.000000  -0.000000   )
+ ( -0.000000  -0.541913    -0.000000   0.000000     0.609069   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.0000
+ **************************************************************************
+     freq (    1) =       2.357707 [THz] =      78.644629 [cm-1]
+ (  0.000000  -0.000000    -0.702069   0.430228    -0.000000  -0.000000   )
+ ( -0.000000   0.241918    -0.000000  -0.000000    -0.513302   0.000000   )
+     freq (    2) =       2.673375 [THz] =      89.174176 [cm-1]
+ (  0.199782  -0.249374     0.000000  -0.000000    -0.561586  -0.449906   )
+ ( -0.000000  -0.000000    -0.208847  -0.580077     0.000000  -0.000000   )
+     freq (    3) =       5.703963 [THz] =     190.263740 [cm-1]
+ ( -0.000000   0.000000    -0.113746   0.069704    -0.000000  -0.000000   )
+ ( -0.000000   0.804751    -0.000000   0.000000     0.578428   0.000000   )
+     freq (    4) =       5.816766 [THz] =     194.026413 [cm-1]
+ ( -0.790627   0.328630     0.000000  -0.000000    -0.191905  -0.461689   )
+ ( -0.000000  -0.000000    -0.020195   0.128529    -0.000000   0.000000   )
+     freq (    5) =       7.025003 [THz] =     234.328878 [cm-1]
+ ( -0.260412  -0.328424     0.000000  -0.000000    -0.397419   0.315119   )
+ (  0.000000   0.000000     0.747576  -0.090617    -0.000000   0.000000   )
+     freq (    6) =       7.336739 [THz] =     244.727285 [cm-1]
+ ( -0.000000   0.000000    -0.495116   0.303408    -0.000000  -0.000000   )
+ (  0.000000  -0.532327     0.000000   0.000000     0.615980   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.0000
+ **************************************************************************
+     freq (    1) =       2.328035 [THz] =      77.654901 [cm-1]
+ ( -0.000000   0.000000     0.715112  -0.400482     0.000000   0.000000   )
+ ( -0.000000  -0.219612     0.000000   0.000000     0.529150   0.000000   )
+     freq (    2) =       2.612447 [THz] =      87.141848 [cm-1]
+ ( -0.004508   0.285989    -0.000000   0.000000     0.734553   0.011580   )
+ (  0.000000   0.000000     0.531966   0.309030    -0.000000   0.000000   )
+     freq (    3) =       5.745463 [THz] =     191.648008 [cm-1]
+ ( -0.000000   0.000000    -0.130212   0.072922    -0.000000  -0.000000   )
+ (  0.000000   0.818478    -0.000000   0.000000     0.554816   0.000000   )
+     freq (    4) =       5.884843 [THz] =     196.297242 [cm-1]
+ ( -0.784123   0.379730     0.000000  -0.000000    -0.204481  -0.422244   )
+ ( -0.000000  -0.000000    -0.008590   0.144151    -0.000000   0.000000   )
+     freq (    5) =       7.028101 [THz] =     234.432208 [cm-1]
+ ( -0.392067   0.125280    -0.000000  -0.000000     0.157011   0.491370   )
+ (  0.000000  -0.000000     0.150168  -0.736166    -0.000000   0.000000   )
+     freq (    6) =       7.317788 [THz] =     244.095119 [cm-1]
+ ( -0.000000   0.000000    -0.508337   0.284682    -0.000000  -0.000000   )
+ ( -0.000000  -0.521450     0.000000  -0.000000     0.623409   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.0000
+ **************************************************************************
+     freq (    1) =       2.296466 [THz] =      76.601845 [cm-1]
+ (  0.000000  -0.000000    -0.726812   0.370329    -0.000000  -0.000000   )
+ ( -0.000000   0.198251     0.000000  -0.000000    -0.543413   0.000000   )
+     freq (    2) =       2.548584 [THz] =      85.011615 [cm-1]
+ (  0.251496  -0.041299     0.000000  -0.000000    -0.121022  -0.736983   )
+ ( -0.000000  -0.000000     0.186480  -0.585217     0.000000  -0.000000   )
+     freq (    3) =       5.790731 [THz] =     193.158010 [cm-1]
+ ( -0.000000   0.000000    -0.144773   0.073766    -0.000000  -0.000000   )
+ ( -0.000000   0.831966    -0.000000   0.000000     0.530501   0.000000   )
+     freq (    4) =       5.956345 [THz] =     198.682292 [cm-1]
+ ( -0.645995   0.603987     0.000000  -0.000000    -0.300407  -0.321301   )
+ ( -0.000000  -0.000000     0.043262   0.150129    -0.000000   0.000000   )
+     freq (    5) =       7.031002 [THz] =     234.528998 [cm-1]
+ (  0.161886  -0.369412     0.000000  -0.000000    -0.480673  -0.210644   )
+ ( -0.000000   0.000000     0.475148   0.579780    -0.000000   0.000000   )
+     freq (    6) =       7.296233 [THz] =     243.376134 [cm-1]
+ ( -0.000000  -0.000000    -0.521206   0.265568    -0.000000  -0.000000   )
+ (  0.000000  -0.508975     0.000000   0.000000     0.631476   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.0000
+ **************************************************************************
+     freq (    1) =       2.263850 [THz] =      75.513922 [cm-1]
+ (  0.000000   0.000000    -0.737262   0.339882     0.000000  -0.000000   )
+ (  0.000000   0.177859     0.000000   0.000000    -0.556140   0.000000   )
+     freq (    2) =       2.483453 [THz] =      82.839063 [cm-1]
+ (  0.065304   0.216323     0.000000  -0.000000     0.724360  -0.218671   )
+ (  0.000000  -0.000000     0.607636   0.084878     0.000000  -0.000000   )
+     freq (    3) =       5.838891 [THz] =     194.764445 [cm-1]
+ ( -0.000000   0.000000    -0.157023   0.072389    -0.000000  -0.000000   )
+ ( -0.000000   0.845459    -0.000000   0.000000     0.505274   0.000000   )
+     freq (    4) =       6.029447 [THz] =     201.120703 [cm-1]
+ ( -0.885078   0.140037     0.000000  -0.000000    -0.064362  -0.406790   )
+ ( -0.000000  -0.000000    -0.044961   0.159323    -0.000000   0.000000   )
+     freq (    5) =       7.033473 [THz] =     234.611421 [cm-1]
+ ( -0.204179   0.336933    -0.000000   0.000000     0.456776   0.276803   )
+ (  0.000000  -0.000000    -0.418655  -0.619879     0.000000   0.000000   )
+     freq (    6) =       7.272265 [THz] =     242.576665 [cm-1]
+ ( -0.000000  -0.000000    -0.533768   0.246070    -0.000000  -0.000000   )
+ (  0.000000  -0.494527     0.000000   0.000000     0.640300   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.0000
+ **************************************************************************
+     freq (    1) =       2.231022 [THz] =      74.418873 [cm-1]
+ (  0.000000  -0.000000    -0.746551   0.309232    -0.000000  -0.000000   )
+ ( -0.000000   0.158422    -0.000000  -0.000000    -0.567397   0.000000   )
+     freq (    2) =       2.418576 [THz] =      80.675010 [cm-1]
+ (  0.025964  -0.197461     0.000000  -0.000000    -0.757905  -0.099657   )
+ ( -0.000000  -0.000000    -0.531074  -0.306503     0.000000  -0.000000   )
+     freq (    3) =       5.889043 [THz] =     196.437345 [cm-1]
+ ( -0.000000  -0.000000    -0.166548   0.068986     0.000000  -0.000000   )
+ ( -0.000000   0.859207    -0.000000  -0.000000     0.478817   0.000000   )
+     freq (    4) =       6.102497 [THz] =     203.557381 [cm-1]
+ ( -0.883915   0.202591     0.000000  -0.000000    -0.085944  -0.374977   )
+ ( -0.000000  -0.000000    -0.028693   0.169805    -0.000000   0.000000   )
+     freq (    5) =       7.035286 [THz] =     234.671866 [cm-1]
+ ( -0.173701  -0.341419     0.000000  -0.000000    -0.484679   0.246586   )
+ (  0.000000   0.000000     0.744421  -0.058133    -0.000000   0.000000   )
+     freq (    6) =       7.246140 [THz] =     241.705216 [cm-1]
+ ( -0.000000  -0.000000    -0.546075   0.226192    -0.000000   0.000000   )
+ (  0.000000  -0.477638     0.000000  -0.000000     0.650002   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.0000
+ **************************************************************************
+     freq (    1) =       2.198771 [THz] =      73.343103 [cm-1]
+ (  0.000000   0.000000    -0.754760   0.278446     0.000000  -0.000000   )
+ ( -0.000000   0.139895     0.000000  -0.000000    -0.577265   0.000000   )
+     freq (    2) =       2.355340 [THz] =      78.565690 [cm-1]
+ (  0.061449   0.163050     0.000000  -0.000000     0.721052  -0.271743   )
+ (  0.000000  -0.000000     0.613074  -0.004280     0.000000   0.000000   )
+     freq (    3) =       5.940268 [THz] =     198.146003 [cm-1]
+ ( -0.000000  -0.000000    -0.172902   0.063787    -0.000000  -0.000000   )
+ ( -0.000000   0.873452    -0.000000   0.000000     0.450686   0.000000   )
+     freq (    4) =       6.174014 [THz] =     205.942936 [cm-1]
+ (  0.916438   0.032984    -0.000000   0.000000    -0.012872   0.357633   )
+ ( -0.000000   0.000000     0.066827  -0.162850     0.000000   0.000000   )
+     freq (    5) =       7.036234 [THz] =     234.703489 [cm-1]
+ ( -0.127147  -0.347481    -0.000000   0.000000    -0.520230   0.190357   )
+ ( -0.000000  -0.000000     0.745796   0.001978     0.000000   0.000000   )
+     freq (    6) =       7.218195 [THz] =     240.773056 [cm-1]
+ ( -0.000000   0.000000    -0.558188   0.205926     0.000000  -0.000000   )
+ (  0.000000  -0.457726    -0.000000   0.000000     0.660687   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.0000
+ **************************************************************************
+     freq (    1) =       2.167836 [THz] =      72.311236 [cm-1]
+ ( -0.000000  -0.000000     0.761956  -0.247575    -0.000000   0.000000   )
+ ( -0.000000  -0.122210    -0.000000   0.000000     0.585828   0.000000   )
+     freq (    2) =       2.295007 [THz] =      76.553210 [cm-1]
+ (  0.141561   0.052528     0.000000  -0.000000     0.269732  -0.726913   )
+ (  0.000000  -0.000000     0.380551  -0.480857     0.000000  -0.000000   )
+     freq (    3) =       5.991608 [THz] =     199.858514 [cm-1]
+ ( -0.000000  -0.000000    -0.175585   0.057051    -0.000000  -0.000000   )
+ (  0.000000   0.888406    -0.000000   0.000000     0.420297   0.000000   )
+     freq (    4) =       6.242670 [THz] =     208.233059 [cm-1]
+ ( -0.924192   0.072948     0.000000  -0.000000    -0.026020  -0.329645   )
+ ( -0.000000  -0.000000    -0.041199   0.171780    -0.000000   0.000000   )
+     freq (    5) =       7.036156 [THz] =     234.700889 [cm-1]
+ ( -0.076791  -0.345627     0.000000  -0.000000    -0.551214   0.122468   )
+ (  0.000000   0.000000     0.742127   0.071113    -0.000000   0.000000   )
+     freq (    6) =       7.188873 [THz] =     239.794987 [cm-1]
+ ( -0.000000  -0.000000    -0.570168   0.185259    -0.000000   0.000000   )
+ ( -0.000000  -0.434066     0.000000   0.000000     0.672440   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.0000
+ **************************************************************************
+     freq (    1) =       2.138894 [THz] =      71.345808 [cm-1]
+ (  0.000000  -0.000000    -0.768198   0.216654    -0.000000  -0.000000   )
+ (  0.000000   0.105282     0.000000  -0.000000    -0.593168   0.000000   )
+     freq (    2) =       2.238731 [THz] =      74.676022 [cm-1]
+ (  0.129094  -0.004684     0.000000  -0.000000    -0.028249  -0.778532   )
+ (  0.000000  -0.000000     0.145012  -0.596133     0.000000   0.000000   )
+     freq (    3) =       6.042045 [THz] =     201.540931 [cm-1]
+ ( -0.000000   0.000000    -0.174016   0.049078     0.000000  -0.000000   )
+ ( -0.000000   0.904222    -0.000000   0.000000     0.386900   0.000000   )
+     freq (    4) =       6.307259 [THz] =     210.387519 [cm-1]
+ (  0.896628  -0.273002    -0.000000   0.000000     0.088056   0.289206   )
+ (  0.000000   0.000000    -0.003588  -0.173553     0.000000   0.000000   )
+     freq (    5) =       7.034958 [THz] =     234.660943 [cm-1]
+ ( -0.152849  -0.297244    -0.000000   0.000000    -0.512174   0.263370   )
+ (  0.000000  -0.000000     0.731173  -0.148269     0.000000   0.000000   )
+     freq (    6) =       7.158753 [THz] =     238.790304 [cm-1]
+ ( -0.000000   0.000000    -0.582060   0.164158     0.000000  -0.000000   )
+ (  0.000000  -0.405757    -0.000000   0.000000     0.685288   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.0000
+ **************************************************************************
+     freq (    1) =       2.112549 [THz] =      70.467052 [cm-1]
+ (  0.000000  -0.000000    -0.773532   0.185709    -0.000000  -0.000000   )
+ ( -0.000000   0.089020    -0.000000  -0.000000    -0.599363   0.000000   )
+     freq (    2) =       2.187563 [THz] =      72.969256 [cm-1]
+ (  0.042390  -0.099971     0.000000  -0.000000    -0.719833  -0.305226   )
+ ( -0.000000  -0.000000    -0.493636  -0.364979     0.000000  -0.000000   )
+     freq (    3) =       6.090466 [THz] =     203.156073 [cm-1]
+ ( -0.000000  -0.000000    -0.167521   0.040218    -0.000000  -0.000000   )
+ ( -0.000000   0.920931     0.000000   0.000000     0.349577   0.000000   )
+     freq (    4) =       6.366659 [THz] =     212.368881 [cm-1]
+ ( -0.847107  -0.425302     0.000000  -0.000000     0.121981  -0.242958   )
+ ( -0.000000  -0.000000    -0.107179   0.127010    -0.000000   0.000000   )
+     freq (    5) =       7.032646 [THz] =     234.583809 [cm-1]
+ (  0.060465  -0.303443     0.000000  -0.000000    -0.576416  -0.114859   )
+ ( -0.000000   0.000000     0.678768   0.313195    -0.000000   0.000000   )
+     freq (    6) =       7.128584 [THz] =     237.783952 [cm-1]
+ (  0.000000  -0.000000    -0.593866   0.142575    -0.000000  -0.000000   )
+ (  0.000000  -0.371719     0.000000   0.000000     0.699157   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.0000
+ **************************************************************************
+     freq (    1) =       2.089336 [THz] =      69.692751 [cm-1]
+ (  0.000000   0.000000     0.777994  -0.154753     0.000000  -0.000000   )
+ ( -0.000000  -0.073327     0.000000  -0.000000     0.604483   0.000000   )
+     freq (    2) =       2.142461 [THz] =      71.464810 [cm-1]
+ ( -0.047529  -0.075259     0.000000  -0.000000    -0.662873   0.418634   )
+ ( -0.000000  -0.000000    -0.573449   0.220405     0.000000  -0.000000   )
+     freq (    3) =       6.135616 [THz] =     204.662128 [cm-1]
+ ( -0.000000  -0.000000    -0.155359   0.030903    -0.000000  -0.000000   )
+ (  0.000000   0.938347    -0.000000  -0.000000     0.307268   0.000000   )
+     freq (    4) =       6.419787 [THz] =     214.141059 [cm-1]
+ ( -0.956957   0.062087     0.000000   0.000000    -0.015426  -0.237761   )
+ ( -0.000000  -0.000000    -0.020157   0.152331    -0.000000   0.000000   )
+     freq (    5) =       7.029355 [THz] =     234.474059 [cm-1]
+ ( -0.200940  -0.192429     0.000000  -0.000000    -0.414983   0.433338   )
+ (  0.000000   0.000000     0.614498  -0.430108    -0.000000   0.000000   )
+     freq (    6) =       7.099319 [THz] =     236.807792 [cm-1]
+ ( -0.000000  -0.000000    -0.605490   0.120439    -0.000000   0.000000   )
+ (  0.000000  -0.330721     0.000000  -0.000000     0.713793   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.0000
+ **************************************************************************
+     freq (    1) =       2.069711 [THz] =      69.038134 [cm-1]
+ (  0.000000   0.000000     0.781613  -0.123795     0.000000  -0.000000   )
+ ( -0.000000  -0.058104     0.000000   0.000000     0.608588   0.000000   )
+     freq (    2) =       2.104278 [THz] =      70.191173 [cm-1]
+ ( -0.007909  -0.069810     0.000000  -0.000000    -0.780573   0.088434   )
+ ( -0.000000  -0.000000    -0.614174  -0.027205     0.000000  -0.000000   )
+     freq (    3) =       6.176068 [THz] =     206.011451 [cm-1]
+ ( -0.000000   0.000000    -0.136805   0.021668     0.000000  -0.000000   )
+ ( -0.000000   0.955928    -0.000000   0.000000     0.258877   0.000000   )
+     freq (    4) =       6.465562 [THz] =     215.667940 [cm-1]
+ ( -0.735126   0.633357     0.000000  -0.000000    -0.130836  -0.151859   )
+ ( -0.000000  -0.000000     0.071119   0.114941    -0.000000   0.000000   )
+     freq (    5) =       7.025389 [THz] =     234.341749 [cm-1]
+ ( -0.019629  -0.238472     0.000000  -0.000000    -0.610230   0.050228   )
+ ( -0.000000   0.000000     0.751438   0.056429    -0.000000   0.000000   )
+     freq (    6) =       7.072152 [THz] =     235.901602 [cm-1]
+ ( -0.000000  -0.000000    -0.616669   0.097671    -0.000000   0.000000   )
+ (  0.000000  -0.281517     0.000000   0.000000     0.728648   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0000
+ **************************************************************************
+     freq (    1) =       2.054051 [THz] =      68.515783 [cm-1]
+ (  0.000000  -0.000000    -0.784409   0.092841    -0.000000  -0.000000   )
+ ( -0.000000   0.043255    -0.000000  -0.000000    -0.611729   0.000000   )
+     freq (    2) =       2.073754 [THz] =      69.172998 [cm-1]
+ (  0.044905  -0.026508     0.000000  -0.000000    -0.399914  -0.677447   )
+ (  0.000000  -0.000000    -0.248286  -0.562822     0.000000   0.000000   )
+     freq (    3) =       6.210214 [THz] =     207.150434 [cm-1]
+ ( -0.000000  -0.000000    -0.111363   0.013181     0.000000  -0.000000   )
+ ( -0.000000   0.972626    -0.000000   0.000000     0.203526   0.000000   )
+     freq (    4) =       6.502875 [THz] =     216.912574 [cm-1]
+ (  0.981358  -0.002912    -0.000000   0.000000     0.000467   0.157528   )
+ (  0.000000   0.000000     0.012612  -0.109334     0.000000   0.000000   )
+     freq (    5) =       7.021227 [THz] =     234.202938 [cm-1]
+ (  0.160691   0.104094     0.000000   0.000000     0.339226  -0.523667   )
+ ( -0.000000   0.000000    -0.483810   0.583068    -0.000000   0.000000   )
+     freq (    6) =       7.048510 [THz] =     235.112976 [cm-1]
+ (  0.000000   0.000000    -0.626887   0.074197     0.000000  -0.000000   )
+ (  0.000000  -0.223160    -0.000000   0.000000     0.742770   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0000
+ **************************************************************************
+     freq (    1) =       2.042653 [THz] =      68.135569 [cm-1]
+ (  0.000000   0.000000    -0.786396   0.061891     0.000000  -0.000000   )
+ ( -0.000000   0.028684     0.000000  -0.000000    -0.613944   0.000000   )
+     freq (    2) =       2.051495 [THz] =      68.430496 [cm-1]
+ (  0.005121   0.034124     0.000000  -0.000000     0.778702  -0.116856   )
+ ( -0.000000  -0.000000     0.613924  -0.043301     0.000000  -0.000000   )
+     freq (    3) =       6.236341 [THz] =     208.021934 [cm-1]
+ ( -0.000000  -0.000000    -0.079124   0.006227     0.000000  -0.000000   )
+ ( -0.000000   0.986822    -0.000000   0.000000     0.141006   0.000000   )
+     freq (    4) =       6.530615 [THz] =     217.837860 [cm-1]
+ (  0.982427   0.129591    -0.000000  -0.000000    -0.014276   0.108225   )
+ ( -0.000000   0.000000     0.016293  -0.076557     0.000000   0.000000   )
+     freq (    5) =       7.017504 [THz] =     234.078752 [cm-1]
+ ( -0.012760  -0.133866    -0.000000   0.000000    -0.630974   0.060146   )
+ ( -0.000000  -0.000000     0.761586  -0.012563     0.000000   0.000000   )
+     freq (    6) =       7.029973 [THz] =     234.494668 [cm-1]
+ (  0.000000   0.000000    -0.635336   0.050002     0.000000  -0.000000   )
+ (  0.000000  -0.155547    -0.000000   0.000000     0.754754   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0000
+ **************************************************************************
+     freq (    1) =       2.035728 [THz] =      67.904588 [cm-1]
+ ( -0.000000  -0.000000    -0.787585   0.030944    -0.000000   0.000000   )
+ ( -0.000000   0.014296    -0.000000  -0.000000    -0.615262   0.000000   )
+     freq (    2) =       2.037952 [THz] =      67.978754 [cm-1]
+ (  0.000425   0.017171    -0.000000   0.000000     0.787603  -0.019486   )
+ (  0.000000   0.000000     0.615571   0.008948    -0.000000   0.000000   )
+     freq (    3) =       6.252828 [THz] =     208.571906 [cm-1]
+ (  0.000000  -0.000000    -0.041210   0.001619    -0.000000  -0.000000   )
+ ( -0.000000   0.996528     0.000000   0.000000     0.072323   0.000000   )
+     freq (    4) =       6.547761 [THz] =     218.409810 [cm-1]
+ (  0.732505   0.677226    -0.000000   0.000000    -0.038023   0.041127   )
+ (  0.000000   0.000000     0.028855  -0.028850     0.000000   0.000000   )
+     freq (    5) =       7.014901 [THz] =     233.991923 [cm-1]
+ (  0.002589  -0.069529     0.000000  -0.000000    -0.640157  -0.023837   )
+ ( -0.000000   0.000000     0.762480   0.058435    -0.000000   0.000000   )
+     freq (    6) =       7.018074 [THz] =     234.097753 [cm-1]
+ ( -0.000000  -0.000000    -0.641010   0.025185    -0.000000  -0.000000   )
+ (  0.000000  -0.080076     0.000000   0.000000     0.762928   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.033406 [THz] =      67.827118 [cm-1]
+ (  0.000000   0.000000     0.787981  -0.000000    -0.000000   0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.615700   0.000000   )
+     freq (    2) =       2.033406 [THz] =      67.827118 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.787981   0.000000   )
+ (  0.000000  -0.000000     0.615700   0.000000     0.000000   0.000000   )
+     freq (    3) =       6.258474 [THz] =     208.760231 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =       6.553569 [THz] =     218.603547 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    5) =       7.013963 [THz] =     233.960633 [cm-1]
+ ( -0.000000  -0.000000    -0.380948   0.000000     0.518032   0.000000   )
+ (  0.000000  -0.000000    -0.616982  -0.000000     0.453713   0.000000   )
+     freq (    6) =       7.013963 [THz] =     233.960633 [cm-1]
+ (  0.000000   0.000000    -0.518032   0.000000    -0.380948  -0.000000   )
+ ( -0.000000   0.000000     0.453713   0.000000     0.616982   0.000000   )
+ **************************************************************************
diff --git a/user_static/data/GaAs/matdyn.out b/user_static/data/GaAs/matdyn.out
new file mode 100644
index 0000000..6544ed5
--- /dev/null
+++ b/user_static/data/GaAs/matdyn.out
@@ -0,0 +1,31 @@
+
+     Program MATDYN v.7.1 starts on  4Jun2024 at  0:57:44 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     238142 MiB available memory on the printing compute node when the environment starts
+
+ mass for atomic type   1 not given; uses mass from file GaAs.fc                                                                                                                                                                                                                                                         
+ mass for atomic type   2 not given; uses mass from file GaAs.fc                                                                                                                                                                                                                                                         
+
+     MATDYN       :      0.04s CPU      0.04s WALL
+
+
+   This run was terminated on:   0:57:44   4Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/GaAs/ph.in b/user_static/data/GaAs/ph.in
new file mode 100644
index 0000000..c8a896e
--- /dev/null
+++ b/user_static/data/GaAs/ph.in
@@ -0,0 +1,17 @@
+GaAs
+&inputph
+  outdir='/home/bonacc_m/Documents/phonons/GaAs/TMP'
+  prefix='GaAs'
+  fildyn='GaAs.dyn',
+  tr2_ph=1d-13,
+  epsil=.true.,
+  asr=.true., 
+  !lraman=.true.,
+  !elop=.true.,
+  !zeu=.true.,
+  !zue=.true.,
+  ldisp=.true.
+  nq1=4
+  nq2=4
+  nq3=4
+/
diff --git a/user_static/data/GaAs/ph.out b/user_static/data/GaAs/ph.out
new file mode 100644
index 0000000..dab88b3
--- /dev/null
+++ b/user_static/data/GaAs/ph.out
@@ -0,0 +1,3244 @@
+
+     Program PHONON v.7.1 starts on  3Jun2024 at 16:21:19 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     241104 MiB available memory on the printing compute node when the environment starts
+
+     Reading input from GaAs.ph.in
+
+     Reading xml data from directory:
+
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/GaAs.save/
+
+     IMPORTANT: XC functional enforced from input :
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+     Any further DFT definition will be discarded
+     Please, verify this is what you really want
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     32                 7301     2576     421
+     Max         216     108     33                 7306     2581     424
+     Sum        2587    1285    385                87651    30923    5065
+
+     Using Slab Decomposition
+
+     Reading collected, re-writing distributed wavefunctions
+
+
+     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
+     (   8 q-points):
+       N         xq(1)         xq(2)         xq(3) 
+       1   0.000000000   0.000000000   0.000000000
+       2  -0.250000000   0.250000000  -0.250000000
+       3   0.500000000  -0.500000000   0.500000000
+       4   0.000000000   0.500000000   0.000000000
+       5   0.750000000  -0.250000000   0.750000000
+       6   0.500000000   0.000000000   0.500000000
+       7   0.000000000  -1.000000000   0.000000000
+       8  -0.500000000  -1.000000000   0.000000000
+
+     Calculation of q =    0.0000000   0.0000000   0.0000000
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.0000000   0.0000000 )
+
+     25 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=   182
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, T_d (-43m)  point group:
+
+
+     Electric field:
+     Dielectric constant
+     Born effective charges in two ways 
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      3 modes -  To be done
+
+     Representation     2      3 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      1.07s CPU      1.14s WALL
+
+
+     Electric Fields Calculation
+
+      iter #   1 total cpu time :    75.8 secs   av.it.:   8.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.080E-08
+
+      iter #   2 total cpu time :   109.1 secs   av.it.:  17.1
+      thresh= 1.442E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.488E-09
+
+      iter #   3 total cpu time :   140.6 secs   av.it.:  16.1
+      thresh= 3.857E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.216E-10
+
+      iter #   4 total cpu time :   172.4 secs   av.it.:  16.4
+      thresh= 1.103E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.397E-12
+
+      iter #   5 total cpu time :   207.7 secs   av.it.:  18.3
+      thresh= 1.182E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.887E-13
+
+      iter #   6 total cpu time :   242.3 secs   av.it.:  17.8
+      thresh= 5.373E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.136E-15
+
+     End of electric fields calculation
+
+          Dielectric constant in cartesian axis 
+
+          (      15.411686603       0.000000000       0.000000000 )
+          (       0.000000000      15.411686603       0.000000000 )
+          (       0.000000000      -0.000000000      15.411686603 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   Ga Mean Z*:        2.20323
+      Ex  (        2.20323       -0.00000       -0.00000 )
+      Ey  (       -0.00000        2.20323       -0.00000 )
+      Ez  (       -0.00000       -0.00000        2.20323 )
+           atom      2   As Mean Z*:       -2.20888
+      Ex  (       -2.20888       -0.00000        0.00000 )
+      Ey  (        0.00000       -2.20888        0.00000 )
+      Ez  (        0.00000        0.00000       -2.20888 )
+
+          Effective charges Sum: Mean:       -0.00564
+             -0.00564       -0.00000       -0.00000
+             -0.00000       -0.00564       -0.00000
+             -0.00000        0.00000       -0.00564
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   Ga Mean Z*:        2.20605
+      E*x (        2.20605        0.00000       -0.00000 )
+      E*y (       -0.00000        2.20605       -0.00000 )
+      E*z (       -0.00000       -0.00000        2.20605 )
+           atom      2   As Mean Z*:       -2.20605
+      E*x (       -2.20605        0.00000        0.00000 )
+      E*y (        0.00000       -2.20605        0.00000 )
+      E*z (        0.00000        0.00000       -2.20605 )
+
+
+     Representation #   1 modes #   1   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   262.3 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.550E-09
+
+      iter #   2 total cpu time :   293.7 secs   av.it.:  17.4
+      thresh= 9.772E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.786E-10
+
+      iter #   3 total cpu time :   326.3 secs   av.it.:  17.8
+      thresh= 2.188E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.556E-12
+
+      iter #   4 total cpu time :   358.7 secs   av.it.:  18.1
+      thresh= 2.749E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.839E-13
+
+      iter #   5 total cpu time :   389.2 secs   av.it.:  17.0
+      thresh= 5.328E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.631E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   4   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   411.5 secs   av.it.:  11.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.822E-07
+
+      iter #   2 total cpu time :   447.7 secs   av.it.:  18.8
+      thresh= 9.393E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.507E-07
+
+      iter #   3 total cpu time :   481.9 secs   av.it.:  18.1
+      thresh= 5.007E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.319E-10
+
+      iter #   4 total cpu time :   511.8 secs   av.it.:  15.6
+      thresh= 1.149E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.227E-12
+
+      iter #   5 total cpu time :   543.5 secs   av.it.:  17.4
+      thresh= 1.108E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.873E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    1
+     List of q in the star:
+          1   0.000000000   0.000000000   0.000000000
+
+          Dielectric constant in cartesian axis 
+
+          (      15.411686603       0.000000000       0.000000000 )
+          (       0.000000000      15.411686603       0.000000000 )
+          (       0.000000000      -0.000000000      15.411686603 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   Ga Mean Z*:        2.20323
+      Ex  (        2.20323       -0.00000       -0.00000 )
+      Ey  (       -0.00000        2.20323       -0.00000 )
+      Ez  (       -0.00000       -0.00000        2.20323 )
+           atom      2   As Mean Z*:       -2.20888
+      Ex  (       -2.20888       -0.00000        0.00000 )
+      Ey  (        0.00000       -2.20888        0.00000 )
+      Ez  (        0.00000        0.00000       -2.20888 )
+
+          Effective charges Sum: Mean:       -0.00564
+             -0.00564       -0.00000       -0.00000
+             -0.00000       -0.00564       -0.00000
+             -0.00000        0.00000       -0.00564
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   Ga Mean Z*:        2.20605
+      E*x (        2.20605        0.00000       -0.00000 )
+      E*y (       -0.00000        2.20605       -0.00000 )
+      E*z (       -0.00000       -0.00000        2.20605 )
+           atom      2   As Mean Z*:       -2.20605
+      E*x (       -2.20605        0.00000        0.00000 )
+      E*y (        0.00000       -2.20605        0.00000 )
+      E*z (        0.00000        0.00000       -2.20605 )
+
+          Effective charges (d P / du) in cartesian axis 
+
+           atom      1   Ga 
+      Px  (        2.20796       -0.00000       -0.00000 )
+      Py  (       -0.00000        2.20796       -0.00000 )
+      Pz  (       -0.00000       -0.00000        2.20796 )
+           atom      2   As 
+      Px  (       -2.20898       -0.00000        0.00000 )
+      Py  (       -0.00000       -2.20898        0.00000 )
+      Pz  (        0.00000        0.00000       -2.20898 )
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       0.932185 [THz] =      31.094349 [cm-1]
+     freq (    2) =       0.932185 [THz] =      31.094349 [cm-1]
+     freq (    3) =       0.932185 [THz] =      31.094349 [cm-1]
+     freq (    4) =       7.710740 [THz] =     257.202586 [cm-1]
+     freq (    5) =       7.710740 [THz] =     257.202586 [cm-1]
+     freq (    6) =       7.710740 [THz] =     257.202586 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, T_d (-43m)  point group:
+
+     freq (   1-   3) =         31.1  [cm-1]   --> T_2  G_15 P_4   I+R
+     freq (   4-   6) =        257.2  [cm-1]   --> T_2  G_15 P_4   I+R
+
+     Calculation of q =   -0.2500000   0.2500000  -0.2500000
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     35                 7301     2576     464
+     Max         216     108     36                 7306     2581     466
+     Sum        2587    1285    421                87651    30923    5577
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  2600
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       7.99 MB
+
+     Estimated total dynamical RAM >      95.83 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.1
+
+     total cpu time spent up to now is      164.1 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.2500000   0.2500000  -0.2500000 )
+
+      6 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  2600
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, C_3v (3m)   point group:
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :  11m39.72s CPU  11m52.52s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   766.1 secs   av.it.:  11.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.814E-04
+
+      iter #   2 total cpu time :   834.1 secs   av.it.:  14.7
+      thresh= 2.411E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.456E-03
+
+      iter #   3 total cpu time :   887.5 secs   av.it.:  11.4
+      thresh= 9.196E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.166E-06
+
+      iter #   4 total cpu time :   956.4 secs   av.it.:  15.3
+      thresh= 1.779E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.131E-08
+
+      iter #   5 total cpu time :  1021.7 secs   av.it.:  14.0
+      thresh= 2.033E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.974E-09
+
+      iter #   6 total cpu time :  1090.1 secs   av.it.:  15.0
+      thresh= 4.442E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.627E-11
+
+      iter #   7 total cpu time :  1158.3 secs   av.it.:  15.2
+      thresh= 7.501E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.035E-10
+
+      iter #   8 total cpu time :  1216.1 secs   av.it.:  12.5
+      thresh= 1.426E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-11
+
+      iter #   9 total cpu time :  1282.1 secs   av.it.:  14.7
+      thresh= 3.723E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.748E-12
+
+      iter #  10 total cpu time :  1342.3 secs   av.it.:  13.6
+      thresh= 2.784E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.948E-13
+
+      iter #  11 total cpu time :  1410.1 secs   av.it.:  14.7
+      thresh= 5.430E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.011E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1451.7 secs   av.it.:   7.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.100E-05
+
+      iter #   2 total cpu time :  1515.2 secs   av.it.:  13.8
+      thresh= 9.000E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.164E-03
+
+      iter #   3 total cpu time :  1569.7 secs   av.it.:  11.2
+      thresh= 3.412E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.048E-08
+
+      iter #   4 total cpu time :  1637.0 secs   av.it.:  14.4
+      thresh= 2.837E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.867E-09
+
+      iter #   5 total cpu time :  1702.0 secs   av.it.:  14.7
+      thresh= 7.660E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.399E-11
+
+      iter #   6 total cpu time :  1768.3 secs   av.it.:  15.0
+      thresh= 3.741E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.137E-13
+
+      iter #   7 total cpu time :  1836.1 secs   av.it.:  14.7
+      thresh= 9.020E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.934E-13
+
+      iter #   8 total cpu time :  1903.8 secs   av.it.:  14.9
+      thresh= 4.398E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.675E-13
+
+      iter #   9 total cpu time :  1958.8 secs   av.it.:  12.2
+      thresh= 4.093E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.131E-13
+
+      iter #  10 total cpu time :  2015.6 secs   av.it.:  12.6
+      thresh= 3.364E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.280E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  2090.9 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.737E-08
+
+      iter #   2 total cpu time :  2238.9 secs   av.it.:  17.1
+      thresh= 1.655E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.772E-09
+
+      iter #   3 total cpu time :  2388.0 secs   av.it.:  17.3
+      thresh= 5.265E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.017E-11
+
+      iter #   4 total cpu time :  2539.8 secs   av.it.:  17.4
+      thresh= 7.757E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.996E-13
+
+      iter #   5 total cpu time :  2678.2 secs   av.it.:  16.1
+      thresh= 8.364E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.403E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  2784.1 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.148E-06
+
+      iter #   2 total cpu time :  2939.1 secs   av.it.:  18.1
+      thresh= 1.466E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.983E-07
+
+      iter #   3 total cpu time :  3088.5 secs   av.it.:  17.3
+      thresh= 8.356E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.189E-10
+
+      iter #   4 total cpu time :  3233.2 secs   av.it.:  16.6
+      thresh= 2.047E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.293E-11
+
+      iter #   5 total cpu time :  3376.9 secs   av.it.:  16.2
+      thresh= 5.738E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.098E-13
+
+      iter #   6 total cpu time :  3518.8 secs   av.it.:  16.2
+      thresh= 5.566E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.798E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    4
+     List of q in the star:
+          1  -0.250000000   0.250000000  -0.250000000
+          2   0.250000000  -0.250000000  -0.250000000
+          3  -0.250000000  -0.250000000   0.250000000
+          4   0.250000000   0.250000000   0.250000000
+     In addition there is the -q list: 
+          1   0.250000000  -0.250000000   0.250000000
+          2  -0.250000000   0.250000000   0.250000000
+          3   0.250000000   0.250000000  -0.250000000
+          4  -0.250000000  -0.250000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.250000000   0.250000000  -0.250000000 ) 
+
+ **************************************************************************
+     freq (    1) =       1.561499 [THz] =      52.085999 [cm-1]
+     freq (    2) =       1.561499 [THz] =      52.085999 [cm-1]
+     freq (    3) =       3.675031 [THz] =     122.585851 [cm-1]
+     freq (    4) =       7.439540 [THz] =     248.156352 [cm-1]
+     freq (    5) =       7.439540 [THz] =     248.156352 [cm-1]
+     freq (    6) =       7.749710 [THz] =     258.502485 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_3v (3m)   point group:
+
+     freq (   1-   2) =         52.1  [cm-1]   --> E    L_3           
+     freq (   3-   3) =        122.6  [cm-1]   --> A_1  L_1           
+     freq (   4-   5) =        248.2  [cm-1]   --> E    L_3           
+     freq (   6-   6) =        258.5  [cm-1]   --> A_1  L_1           
+
+     Calculation of q =    0.5000000  -0.5000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     36                 7301     2576     496
+     Max         216     108     37                 7306     2581     499
+     Sum        2587    1285    433                87651    30923    5961
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  1300
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       8.03 MB
+
+     Estimated total dynamical RAM >      96.37 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.1
+
+     total cpu time spent up to now is      247.4 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000  -0.5000000   0.5000000 )
+
+      7 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  1300
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, C_3v (3m)   point group:
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :  58m59.61s CPU      1h 0m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  3633.9 secs   av.it.:  11.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.754E-05
+
+      iter #   2 total cpu time :  3669.6 secs   av.it.:  15.9
+      thresh= 8.805E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.269E-04
+
+      iter #   3 total cpu time :  3702.2 secs   av.it.:  13.9
+      thresh= 1.506E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.711E-07
+
+      iter #   4 total cpu time :  3736.3 secs   av.it.:  14.9
+      thresh= 8.781E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.324E-08
+
+      iter #   5 total cpu time :  3770.1 secs   av.it.:  14.8
+      thresh= 1.823E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.725E-09
+
+      iter #   6 total cpu time :  3802.3 secs   av.it.:  14.4
+      thresh= 4.153E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.470E-11
+
+      iter #   7 total cpu time :  3837.9 secs   av.it.:  15.6
+      thresh= 7.396E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.299E-11
+
+      iter #   8 total cpu time :  3871.1 secs   av.it.:  14.7
+      thresh= 4.795E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.151E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  3892.6 secs   av.it.:   8.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.708E-06
+
+      iter #   2 total cpu time :  3926.8 secs   av.it.:  15.2
+      thresh= 2.590E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.879E-05
+
+      iter #   3 total cpu time :  3958.9 secs   av.it.:  13.7
+      thresh= 4.335E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.067E-08
+
+      iter #   4 total cpu time :  3990.9 secs   av.it.:  13.9
+      thresh= 1.438E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.490E-10
+
+      iter #   5 total cpu time :  4024.2 secs   av.it.:  14.8
+      thresh= 2.119E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.646E-12
+
+      iter #   6 total cpu time :  4058.1 secs   av.it.:  15.2
+      thresh= 2.376E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.318E-12
+
+      iter #   7 total cpu time :  4089.4 secs   av.it.:  14.1
+      thresh= 1.148E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.750E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  4127.3 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.282E-08
+
+      iter #   2 total cpu time :  4204.1 secs   av.it.:  17.1
+      thresh= 1.812E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.580E-09
+
+      iter #   3 total cpu time :  4280.2 secs   av.it.:  17.2
+      thresh= 6.768E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.960E-11
+
+      iter #   4 total cpu time :  4354.7 secs   av.it.:  17.3
+      thresh= 8.922E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.751E-13
+
+      iter #   5 total cpu time :  4426.1 secs   av.it.:  16.1
+      thresh= 8.804E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.651E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  4480.1 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.287E-06
+
+      iter #   2 total cpu time :  4558.8 secs   av.it.:  18.0
+      thresh= 1.512E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.156E-07
+
+      iter #   3 total cpu time :  4635.4 secs   av.it.:  17.2
+      thresh= 9.031E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.302E-10
+
+      iter #   4 total cpu time :  4710.2 secs   av.it.:  16.8
+      thresh= 2.303E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.118E-11
+
+      iter #   5 total cpu time :  4779.6 secs   av.it.:  16.0
+      thresh= 6.417E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.023E-13
+
+      iter #   6 total cpu time :  4850.1 secs   av.it.:  16.3
+      thresh= 6.343E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.445E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    4
+     List of q in the star:
+          1   0.500000000  -0.500000000   0.500000000
+          2  -0.500000000   0.500000000   0.500000000
+          3   0.500000000   0.500000000  -0.500000000
+          4  -0.500000000  -0.500000000  -0.500000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000  -0.500000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =       1.824642 [THz] =      60.863516 [cm-1]
+     freq (    2) =       1.824642 [THz] =      60.863516 [cm-1]
+     freq (    3) =       5.974492 [THz] =     199.287594 [cm-1]
+     freq (    4) =       6.582519 [THz] =     219.569196 [cm-1]
+     freq (    5) =       7.402682 [THz] =     246.926884 [cm-1]
+     freq (    6) =       7.402682 [THz] =     246.926884 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_3v (3m)   point group:
+
+     freq (   1-   2) =         60.9  [cm-1]   --> E    L_3           
+     freq (   3-   3) =        199.3  [cm-1]   --> A_1  L_1           
+     freq (   4-   4) =        219.6  [cm-1]   --> A_1  L_1           
+     freq (   5-   6) =        246.9  [cm-1]   --> E    L_3           
+
+     Calculation of q =    0.0000000   0.5000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     35                 7301     2576     466
+     Max         216     108     36                 7306     2581     469
+     Sum        2587    1285    421                87651    30923    5601
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  3744
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       7.99 MB
+
+     Estimated total dynamical RAM >      95.93 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.0
+
+     total cpu time spent up to now is      484.4 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.5000000   0.0000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  3744
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      1h23m CPU      1h24m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  5150.1 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.056E-05
+
+      iter #   2 total cpu time :  5237.8 secs   av.it.:  13.8
+      thresh= 7.111E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.457E-04
+
+      iter #   3 total cpu time :  5313.8 secs   av.it.:  11.3
+      thresh= 2.541E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.115E-08
+
+      iter #   4 total cpu time :  5411.3 secs   av.it.:  15.2
+      thresh= 1.454E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.055E-09
+
+      iter #   5 total cpu time :  5505.4 secs   av.it.:  14.8
+      thresh= 5.527E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.329E-11
+
+      iter #   6 total cpu time :  5599.7 secs   av.it.:  15.0
+      thresh= 3.645E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.057E-12
+
+      iter #   7 total cpu time :  5688.2 secs   av.it.:  14.0
+      thresh= 1.028E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.548E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  5766.5 secs   av.it.:  11.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.520E-04
+
+      iter #   2 total cpu time :  5865.4 secs   av.it.:  14.9
+      thresh= 1.876E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.343E-03
+
+      iter #   3 total cpu time :  5945.4 secs   av.it.:  11.7
+      thresh= 6.590E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.656E-06
+
+      iter #   4 total cpu time :  6045.3 secs   av.it.:  15.7
+      thresh= 1.287E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.033E-09
+
+      iter #   5 total cpu time :  6144.4 secs   av.it.:  15.1
+      thresh= 9.504E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.224E-09
+
+      iter #   6 total cpu time :  6244.2 secs   av.it.:  15.0
+      thresh= 3.498E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.775E-11
+
+      iter #   7 total cpu time :  6336.1 secs   av.it.:  14.1
+      thresh= 6.144E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.760E-13
+
+      iter #   8 total cpu time :  6435.9 secs   av.it.:  15.5
+      thresh= 9.360E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.880E-13
+
+      iter #   9 total cpu time :  6532.0 secs   av.it.:  15.0
+      thresh= 6.229E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.697E-13
+
+      iter #  10 total cpu time :  6621.6 secs   av.it.:  13.9
+      thresh= 6.854E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.906E-13
+
+      iter #  11 total cpu time :  6698.5 secs   av.it.:  11.9
+      thresh= 4.366E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.357E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  6774.2 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.036E-05
+
+      iter #   2 total cpu time :  6880.9 secs   av.it.:  16.8
+      thresh= 3.218E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.469E-06
+
+      iter #   3 total cpu time :  6980.7 secs   av.it.:  15.8
+      thresh= 2.114E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.259E-09
+
+      iter #   4 total cpu time :  7084.3 secs   av.it.:  15.9
+      thresh= 5.708E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.074E-10
+
+      iter #   5 total cpu time :  7179.7 secs   av.it.:  14.9
+      thresh= 1.440E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.140E-12
+
+      iter #   6 total cpu time :  7274.0 secs   av.it.:  14.2
+      thresh= 1.067E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.259E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  7332.3 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.846E-07
+
+      iter #   2 total cpu time :  7436.6 secs   av.it.:  15.9
+      thresh= 4.297E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.872E-08
+
+      iter #   3 total cpu time :  7541.9 secs   av.it.:  15.8
+      thresh= 1.968E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.870E-10
+
+      iter #   4 total cpu time :  7641.3 secs   av.it.:  15.9
+      thresh= 1.967E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.335E-12
+
+      iter #   5 total cpu time :  7734.1 secs   av.it.:  14.7
+      thresh= 1.826E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.410E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  7789.7 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.846E-07
+
+      iter #   2 total cpu time :  7888.6 secs   av.it.:  15.9
+      thresh= 4.297E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.872E-08
+
+      iter #   3 total cpu time :  7987.4 secs   av.it.:  15.8
+      thresh= 1.968E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.870E-10
+
+      iter #   4 total cpu time :  8086.9 secs   av.it.:  15.9
+      thresh= 1.967E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.335E-12
+
+      iter #   5 total cpu time :  8181.3 secs   av.it.:  14.7
+      thresh= 1.826E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.410E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  8260.5 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.036E-05
+
+      iter #   2 total cpu time :  8365.9 secs   av.it.:  16.8
+      thresh= 3.218E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.469E-06
+
+      iter #   3 total cpu time :  8464.6 secs   av.it.:  15.8
+      thresh= 2.114E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.257E-09
+
+      iter #   4 total cpu time :  8562.6 secs   av.it.:  15.9
+      thresh= 5.707E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.073E-10
+
+      iter #   5 total cpu time :  8655.6 secs   av.it.:  14.9
+      thresh= 1.440E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.139E-12
+
+      iter #   6 total cpu time :  8746.3 secs   av.it.:  14.2
+      thresh= 1.067E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.257E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.000000000   0.500000000   0.000000000
+          2  -0.500000000   0.000000000   0.000000000
+          3   0.000000000  -0.500000000   0.000000000
+          4   0.000000000   0.000000000   0.500000000
+          5   0.000000000   0.000000000  -0.500000000
+          6   0.500000000   0.000000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.500000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       2.074610 [THz] =      69.201531 [cm-1]
+     freq (    2) =       2.074610 [THz] =      69.201531 [cm-1]
+     freq (    3) =       3.742315 [THz] =     124.830201 [cm-1]
+     freq (    4) =       7.185179 [THz] =     239.671784 [cm-1]
+     freq (    5) =       7.185179 [THz] =     239.671784 [cm-1]
+     freq (    6) =       7.838894 [THz] =     261.477370 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =         69.2  [cm-1]   --> B_1  D_3  S_3      
+     freq (   2-   2) =         69.2  [cm-1]   --> B_2  D_4  S_4      
+     freq (   3-   3) =        124.8  [cm-1]   --> A_1  D_1  S_1      
+     freq (   4-   4) =        239.7  [cm-1]   --> B_1  D_3  S_3      
+     freq (   5-   5) =        239.7  [cm-1]   --> B_2  D_4  S_4      
+     freq (   6-   6) =        261.5  [cm-1]   --> A_1  D_1  S_1      
+
+     Calculation of q =    0.7500000  -0.2500000   0.7500000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     36                 7301     2576     514
+     Max         216     108     37                 7306     2581     518
+     Sum        2587    1285    439                87651    30923    6183
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  7200
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       8.05 MB
+
+     Estimated total dynamical RAM >      96.64 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.0
+
+     total cpu time spent up to now is      930.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.7500000  -0.2500000   0.7500000 )
+
+      2 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  7200
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, C_s (m)     point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      2h30m CPU      2h33m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  9349.6 secs   av.it.:  11.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.543E-05
+
+      iter #   2 total cpu time :  9541.5 secs   av.it.:  16.2
+      thresh= 7.445E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.463E-04
+
+      iter #   3 total cpu time :  9709.6 secs   av.it.:  14.0
+      thresh= 1.210E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.231E-06
+
+      iter #   4 total cpu time :  9888.7 secs   av.it.:  15.0
+      thresh= 1.109E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.330E-08
+
+      iter #   5 total cpu time : 10069.5 secs   av.it.:  15.2
+      thresh= 1.825E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.353E-09
+
+      iter #   6 total cpu time : 10243.8 secs   av.it.:  14.8
+      thresh= 4.851E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.279E-10
+
+      iter #   7 total cpu time : 10427.1 secs   av.it.:  15.5
+      thresh= 1.131E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.091E-11
+
+      iter #   8 total cpu time : 10608.9 secs   av.it.:  15.3
+      thresh= 4.573E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.321E-12
+
+      iter #   9 total cpu time : 10790.1 secs   av.it.:  15.1
+      thresh= 2.079E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.117E-13
+
+      iter #  10 total cpu time : 10979.4 secs   av.it.:  15.9
+      thresh= 4.601E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.916E-13
+
+      iter #  11 total cpu time : 11145.2 secs   av.it.:  13.9
+      thresh= 4.377E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.633E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 11255.7 secs   av.it.:   7.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.747E-06
+
+      iter #   2 total cpu time : 11436.7 secs   av.it.:  15.2
+      thresh= 1.657E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.077E-06
+
+      iter #   3 total cpu time : 11600.2 secs   av.it.:  13.6
+      thresh= 2.660E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.493E-08
+
+      iter #   4 total cpu time : 11775.5 secs   av.it.:  14.8
+      thresh= 1.869E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.946E-10
+
+      iter #   5 total cpu time : 11957.5 secs   av.it.:  15.3
+      thresh= 2.224E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.574E-11
+
+      iter #   6 total cpu time : 12137.0 secs   av.it.:  15.1
+      thresh= 5.978E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.815E-12
+
+      iter #   7 total cpu time : 12317.7 secs   av.it.:  15.2
+      thresh= 1.678E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.486E-13
+
+      iter #   8 total cpu time : 12495.0 secs   av.it.:  14.9
+      thresh= 6.698E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.153E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 12602.5 secs   av.it.:   7.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.560E-06
+
+      iter #   2 total cpu time : 12781.6 secs   av.it.:  15.1
+      thresh= 1.600E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.121E-06
+
+      iter #   3 total cpu time : 12945.0 secs   av.it.:  13.6
+      thresh= 2.474E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.142E-08
+
+      iter #   4 total cpu time : 13115.5 secs   av.it.:  14.2
+      thresh= 2.478E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.168E-10
+
+      iter #   5 total cpu time : 13296.8 secs   av.it.:  15.2
+      thresh= 2.273E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.163E-11
+
+      iter #   6 total cpu time : 13479.8 secs   av.it.:  15.4
+      thresh= 4.651E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.461E-12
+
+      iter #   7 total cpu time : 13664.0 secs   av.it.:  15.5
+      thresh= 1.209E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.679E-13
+
+      iter #   8 total cpu time : 13842.2 secs   av.it.:  15.0
+      thresh= 5.176E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.029E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 13988.5 secs   av.it.:  11.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.798E-05
+
+      iter #   2 total cpu time : 14186.4 secs   av.it.:  16.7
+      thresh= 4.241E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.997E-05
+
+      iter #   3 total cpu time : 14363.5 secs   av.it.:  14.9
+      thresh= 4.469E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.102E-06
+
+      iter #   4 total cpu time : 14537.1 secs   av.it.:  14.5
+      thresh= 1.050E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.207E-08
+
+      iter #   5 total cpu time : 14718.5 secs   av.it.:  15.2
+      thresh= 1.485E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.726E-09
+
+      iter #   6 total cpu time : 14896.8 secs   av.it.:  15.0
+      thresh= 4.155E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.906E-10
+
+      iter #   7 total cpu time : 15078.5 secs   av.it.:  15.2
+      thresh= 1.380E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.653E-11
+
+      iter #   8 total cpu time : 15259.8 secs   av.it.:  15.3
+      thresh= 4.065E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.799E-12
+
+      iter #   9 total cpu time : 15448.9 secs   av.it.:  16.0
+      thresh= 1.341E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.014E-13
+
+      iter #  10 total cpu time : 15635.5 secs   av.it.:  15.7
+      thresh= 5.490E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.032E-13
+
+      iter #  11 total cpu time : 15804.1 secs   av.it.:  14.0
+      thresh= 4.508E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.235E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 15908.2 secs   av.it.:   7.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.160E-07
+
+      iter #   2 total cpu time : 16098.6 secs   av.it.:  15.9
+      thresh= 4.647E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.431E-08
+
+      iter #   3 total cpu time : 16286.6 secs   av.it.:  15.8
+      thresh= 2.330E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.155E-10
+
+      iter #   4 total cpu time : 16476.0 secs   av.it.:  15.9
+      thresh= 2.038E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.470E-12
+
+      iter #   5 total cpu time : 16650.5 secs   av.it.:  14.7
+      thresh= 1.863E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.869E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 16795.4 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.110E-05
+
+      iter #   2 total cpu time : 16993.3 secs   av.it.:  16.8
+      thresh= 3.332E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.258E-06
+
+      iter #   3 total cpu time : 17181.6 secs   av.it.:  15.8
+      thresh= 2.293E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.043E-09
+
+      iter #   4 total cpu time : 17371.0 secs   av.it.:  15.9
+      thresh= 6.359E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.180E-10
+
+      iter #   5 total cpu time : 17548.5 secs   av.it.:  14.9
+      thresh= 1.477E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.244E-12
+
+      iter #   6 total cpu time : 17717.3 secs   av.it.:  14.0
+      thresh= 1.115E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.830E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   12
+     List of q in the star:
+          1   0.750000000  -0.250000000   0.750000000
+          2  -0.750000000  -0.250000000  -0.750000000
+          3   0.250000000  -0.750000000   0.750000000
+          4  -0.750000000   0.250000000   0.750000000
+          5   0.750000000   0.250000000  -0.750000000
+          6   0.750000000   0.750000000  -0.250000000
+          7  -0.750000000  -0.750000000  -0.250000000
+          8  -0.750000000   0.750000000   0.250000000
+          9  -0.250000000   0.750000000   0.750000000
+         10   0.250000000   0.750000000  -0.750000000
+         11  -0.250000000  -0.750000000  -0.750000000
+         12   0.750000000  -0.750000000   0.250000000
+     In addition there is the -q list: 
+          1  -0.750000000   0.250000000  -0.750000000
+          2   0.750000000   0.250000000   0.750000000
+          3  -0.250000000   0.750000000  -0.750000000
+          4   0.750000000  -0.250000000  -0.750000000
+          5  -0.750000000  -0.250000000   0.750000000
+          6  -0.750000000  -0.750000000   0.250000000
+          7   0.750000000   0.750000000   0.250000000
+          8   0.750000000  -0.750000000  -0.250000000
+          9   0.250000000  -0.750000000  -0.750000000
+         10  -0.250000000  -0.750000000   0.750000000
+         11   0.250000000   0.750000000   0.750000000
+         12  -0.750000000   0.750000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.750000000  -0.250000000   0.750000000 ) 
+
+ **************************************************************************
+     freq (    1) =       2.293778 [THz] =      76.512185 [cm-1]
+     freq (    2) =       2.892508 [THz] =      96.483680 [cm-1]
+     freq (    3) =       5.070917 [THz] =     169.147592 [cm-1]
+     freq (    4) =       6.580905 [THz] =     219.515367 [cm-1]
+     freq (    5) =       7.133015 [THz] =     237.931773 [cm-1]
+     freq (    6) =       7.462020 [THz] =     248.906191 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_s (m)     point group:
+
+     freq (   1-   1) =         76.5  [cm-1]   --> A''                
+     freq (   2-   2) =         96.5  [cm-1]   --> A'                 
+     freq (   3-   3) =        169.1  [cm-1]   --> A'                 
+     freq (   4-   4) =        219.5  [cm-1]   --> A'                 
+     freq (   5-   5) =        237.9  [cm-1]   --> A''                
+     freq (   6-   6) =        248.9  [cm-1]   --> A'                 
+
+     Calculation of q =    0.5000000   0.0000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     35                 7301     2576     479
+     Max         216     108     36                 7306     2581     483
+     Sum        2587    1285    421                87651    30923    5769
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  7200
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       8.01 MB
+
+     Estimated total dynamical RAM >      96.18 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.0
+
+     total cpu time spent up to now is     1369.7 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000   0.0000000   0.5000000 )
+
+      2 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  7200
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, C_s (m)     point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      4h57m CPU      5h 2m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 18314.2 secs   av.it.:  11.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.081E-05
+
+      iter #   2 total cpu time : 18503.5 secs   av.it.:  16.0
+      thresh= 7.798E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.677E-04
+
+      iter #   3 total cpu time : 18663.1 secs   av.it.:  13.3
+      thresh= 1.636E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.967E-06
+
+      iter #   4 total cpu time : 18843.1 secs   av.it.:  15.2
+      thresh= 1.403E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.251E-08
+
+      iter #   5 total cpu time : 19024.8 secs   av.it.:  15.5
+      thresh= 1.500E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.804E-09
+
+      iter #   6 total cpu time : 19197.8 secs   av.it.:  14.8
+      thresh= 4.247E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.466E-10
+
+      iter #   7 total cpu time : 19377.7 secs   av.it.:  15.3
+      thresh= 1.211E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.740E-11
+
+      iter #   8 total cpu time : 19558.8 secs   av.it.:  15.4
+      thresh= 4.172E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.284E-12
+
+      iter #   9 total cpu time : 19733.3 secs   av.it.:  14.8
+      thresh= 2.507E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.071E-13
+
+      iter #  10 total cpu time : 19912.6 secs   av.it.:  15.3
+      thresh= 5.542E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.180E-13
+
+      iter #  11 total cpu time : 20067.9 secs   av.it.:  13.0
+      thresh= 7.862E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.422E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 20177.7 secs   av.it.:   7.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.446E-06
+
+      iter #   2 total cpu time : 20357.7 secs   av.it.:  15.4
+      thresh= 1.564E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.043E-05
+
+      iter #   3 total cpu time : 20515.6 secs   av.it.:  13.2
+      thresh= 3.229E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.365E-08
+
+      iter #   4 total cpu time : 20688.1 secs   av.it.:  14.6
+      thresh= 2.523E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.862E-10
+
+      iter #   5 total cpu time : 20872.1 secs   av.it.:  15.8
+      thresh= 1.965E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.869E-11
+
+      iter #   6 total cpu time : 21047.0 secs   av.it.:  14.9
+      thresh= 4.323E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.496E-12
+
+      iter #   7 total cpu time : 21228.6 secs   av.it.:  15.5
+      thresh= 1.580E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.133E-13
+
+      iter #   8 total cpu time : 21403.1 secs   av.it.:  14.9
+      thresh= 7.164E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.569E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 21509.9 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.110E-06
+
+      iter #   2 total cpu time : 21682.6 secs   av.it.:  14.7
+      thresh= 2.848E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.802E-05
+
+      iter #   3 total cpu time : 21836.6 secs   av.it.:  12.9
+      thresh= 6.166E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.356E-08
+
+      iter #   4 total cpu time : 22009.9 secs   av.it.:  14.7
+      thresh= 2.521E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.977E-10
+
+      iter #   5 total cpu time : 22189.7 secs   av.it.:  15.3
+      thresh= 2.231E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.845E-12
+
+      iter #   6 total cpu time : 22373.6 secs   av.it.:  15.8
+      thresh= 2.801E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.427E-12
+
+      iter #   7 total cpu time : 22552.6 secs   av.it.:  15.2
+      thresh= 1.195E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.274E-13
+
+      iter #   8 total cpu time : 22731.7 secs   av.it.:  15.2
+      thresh= 5.722E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.115E-13
+
+      iter #   9 total cpu time : 22889.7 secs   av.it.:  13.2
+      thresh= 5.582E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.076E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 23035.1 secs   av.it.:  11.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.831E-05
+
+      iter #   2 total cpu time : 23223.3 secs   av.it.:  16.1
+      thresh= 7.636E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.527E-04
+
+      iter #   3 total cpu time : 23383.0 secs   av.it.:  13.3
+      thresh= 1.590E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.020E-06
+
+      iter #   4 total cpu time : 23561.9 secs   av.it.:  15.2
+      thresh= 1.421E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.253E-08
+
+      iter #   5 total cpu time : 23743.8 secs   av.it.:  15.5
+      thresh= 1.501E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.777E-09
+
+      iter #   6 total cpu time : 23916.9 secs   av.it.:  14.8
+      thresh= 4.216E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.444E-10
+
+      iter #   7 total cpu time : 24097.2 secs   av.it.:  15.3
+      thresh= 1.202E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.710E-11
+
+      iter #   8 total cpu time : 24278.8 secs   av.it.:  15.5
+      thresh= 4.135E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.361E-12
+
+      iter #   9 total cpu time : 24452.7 secs   av.it.:  14.8
+      thresh= 2.522E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.905E-13
+
+      iter #  10 total cpu time : 24632.5 secs   av.it.:  15.4
+      thresh= 5.390E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.732E-13
+
+      iter #  11 total cpu time : 24788.6 secs   av.it.:  13.0
+      thresh= 7.571E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.651E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 24890.4 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.381E-07
+
+      iter #   2 total cpu time : 25076.0 secs   av.it.:  15.9
+      thresh= 3.717E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.163E-08
+
+      iter #   3 total cpu time : 25263.2 secs   av.it.:  15.9
+      thresh= 1.471E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.251E-10
+
+      iter #   4 total cpu time : 25450.2 secs   av.it.:  16.0
+      thresh= 1.803E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.867E-12
+
+      iter #   5 total cpu time : 25622.3 secs   av.it.:  14.8
+      thresh= 1.693E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.645E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 25763.2 secs   av.it.:  10.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.355E-06
+
+      iter #   2 total cpu time : 25958.8 secs   av.it.:  16.8
+      thresh= 3.059E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.507E-06
+
+      iter #   3 total cpu time : 26145.2 secs   av.it.:  15.9
+      thresh= 1.873E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.339E-09
+
+      iter #   4 total cpu time : 26327.4 secs   av.it.:  15.7
+      thresh= 4.837E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.780E-10
+
+      iter #   5 total cpu time : 26501.4 secs   av.it.:  14.8
+      thresh= 1.334E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.303E-12
+
+      iter #   6 total cpu time : 26674.4 secs   av.it.:  14.9
+      thresh= 1.141E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.794E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   12
+     List of q in the star:
+          1   0.500000000   0.000000000   0.500000000
+          2  -0.500000000   0.000000000  -0.500000000
+          3   0.000000000  -0.500000000   0.500000000
+          4  -0.500000000   0.000000000   0.500000000
+          5   0.500000000   0.000000000  -0.500000000
+          6   0.500000000   0.500000000   0.000000000
+          7  -0.500000000  -0.500000000   0.000000000
+          8  -0.500000000   0.500000000   0.000000000
+          9   0.000000000   0.500000000   0.500000000
+         10   0.000000000   0.500000000  -0.500000000
+         11   0.000000000  -0.500000000  -0.500000000
+         12   0.500000000  -0.500000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000   0.000000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =       2.202050 [THz] =      73.452487 [cm-1]
+     freq (    2) =       2.867941 [THz] =      95.664221 [cm-1]
+     freq (    3) =       4.531650 [THz] =     151.159569 [cm-1]
+     freq (    4) =       6.612961 [THz] =     220.584637 [cm-1]
+     freq (    5) =       7.208686 [THz] =     240.455872 [cm-1]
+     freq (    6) =       7.610653 [THz] =     253.864073 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_s (m)     point group:
+
+     freq (   1-   1) =         73.5  [cm-1]   --> A''                
+     freq (   2-   2) =         95.7  [cm-1]   --> A'                 
+     freq (   3-   3) =        151.2  [cm-1]   --> A'                 
+     freq (   4-   4) =        220.6  [cm-1]   --> A'                 
+     freq (   5-   5) =        240.5  [cm-1]   --> A''                
+     freq (   6-   6) =        253.9  [cm-1]   --> A'                 
+
+     Calculation of q =    0.0000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     36                 7301     2576     498
+     Max         216     108     37                 7306     2581     501
+     Sum        2587    1285    433                87651    30923    5985
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   936
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       8.04 MB
+
+     Estimated total dynamical RAM >      96.52 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 18.0
+
+     total cpu time spent up to now is     1427.7 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000  -1.0000000   0.0000000 )
+
+      9 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=   936
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, D_2d (-42m) point group:
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      7h17m CPU      7h25m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 26750.0 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.859E-06
+
+      iter #   2 total cpu time : 26772.1 secs   av.it.:  14.2
+      thresh= 1.691E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.377E-06
+
+      iter #   3 total cpu time : 26792.8 secs   av.it.:  13.0
+      thresh= 2.092E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.325E-09
+
+      iter #   4 total cpu time : 26816.0 secs   av.it.:  15.1
+      thresh= 3.640E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.627E-11
+
+      iter #   5 total cpu time : 26838.3 secs   av.it.:  14.2
+      thresh= 4.033E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.277E-12
+
+      iter #   6 total cpu time : 26859.3 secs   av.it.:  13.3
+      thresh= 1.130E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.275E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 26877.9 secs   av.it.:  11.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.583E-05
+
+      iter #   2 total cpu time : 26902.9 secs   av.it.:  16.2
+      thresh= 5.986E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.587E-05
+
+      iter #   3 total cpu time : 26925.3 secs   av.it.:  14.5
+      thresh= 6.773E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.214E-07
+
+      iter #   4 total cpu time : 26948.9 secs   av.it.:  15.4
+      thresh= 4.705E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.948E-09
+
+      iter #   5 total cpu time : 26971.8 secs   av.it.:  14.8
+      thresh= 6.284E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.980E-11
+
+      iter #   6 total cpu time : 26995.4 secs   av.it.:  15.5
+      thresh= 7.733E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.254E-12
+
+      iter #   7 total cpu time : 27018.8 secs   av.it.:  15.0
+      thresh= 1.120E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.954E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 27045.9 secs   av.it.:   7.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.821E-08
+
+      iter #   2 total cpu time : 27098.7 secs   av.it.:  17.1
+      thresh= 2.797E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.706E-08
+
+      iter #   3 total cpu time : 27150.6 secs   av.it.:  16.9
+      thresh= 1.645E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.245E-10
+
+      iter #   4 total cpu time : 27202.9 secs   av.it.:  17.1
+      thresh= 1.116E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.963E-13
+
+      iter #   5 total cpu time : 27251.5 secs   av.it.:  15.9
+      thresh= 9.981E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.821E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 27288.5 secs   av.it.:  11.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.296E-06
+
+      iter #   2 total cpu time : 27343.4 secs   av.it.:  17.9
+      thresh= 1.815E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.916E-06
+
+      iter #   3 total cpu time : 27394.6 secs   av.it.:  16.9
+      thresh= 1.384E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.663E-09
+
+      iter #   4 total cpu time : 27447.4 secs   av.it.:  17.2
+      thresh= 4.078E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.928E-11
+
+      iter #   5 total cpu time : 27497.8 secs   av.it.:  16.3
+      thresh= 7.699E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.871E-13
+
+      iter #   6 total cpu time : 27547.4 secs   av.it.:  16.1
+      thresh= 6.222E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.530E-14
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    3
+     List of q in the star:
+          1   0.000000000  -1.000000000   0.000000000
+          2   0.000000000   0.000000000  -1.000000000
+          3  -1.000000000   0.000000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       2.306249 [THz] =      76.928189 [cm-1]
+     freq (    2) =       2.306249 [THz] =      76.928189 [cm-1]
+     freq (    3) =       6.228155 [THz] =     207.748902 [cm-1]
+     freq (    4) =       6.724652 [THz] =     224.310236 [cm-1]
+     freq (    5) =       7.064328 [THz] =     235.640603 [cm-1]
+     freq (    6) =       7.064328 [THz] =     235.640603 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_2d (-42m) point group:
+
+     freq (   1-   2) =         76.9  [cm-1]   --> E    X_5  W_3      
+     freq (   3-   3) =        207.7  [cm-1]   --> A_1  X_1  W_1      
+     freq (   4-   4) =        224.3  [cm-1]   --> B_2  X_3  W_2      
+     freq (   5-   6) =        235.6  [cm-1]   --> E    X_5  W_3      
+
+     Calculation of q =   -0.5000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     36                 7301     2576     498
+     Max         216     108     37                 7306     2581     501
+     Sum        2587    1285    433                87651    30923    5985
+
+     Using Slab Decomposition
+
+
+     Title: 
+     GaAs                                                                       
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  3456
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >       8.06 MB
+
+     Estimated total dynamical RAM >      96.68 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/charge-density
+
+     Starting wfcs are    0 atomic +    9 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  5.56E-11,  avg # of iterations = 17.9
+
+     total cpu time spent up to now is     1640.0 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5664
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/_ph0/GaAs.save/
+
+     GaAs                                                                       
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     kinetic-energy cut-off    =      80.0000  Ry
+     charge density cut-off    =     640.0000  Ry
+     convergence threshold     =      1.0E-13
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=   10.86146  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Ga  69.7230   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     As  74.9216   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.5000000  -1.0000000   0.0000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff = 1912.4796  (   7302 G-vectors)     FFT grid: ( 64, 64, 64)
+     G cutoff =  956.2398  (   2577 G-vectors)  smooth grid: ( 45, 45, 45)
+     number of k points=  3456
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     Mode symmetry, S_4 (-4)    point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      7h34m CPU      7h42m WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 27811.2 secs   av.it.:   6.7
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.399E-06
+
+      iter #   2 total cpu time : 27894.4 secs   av.it.:  14.4
+      thresh= 1.183E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.650E-06
+
+      iter #   3 total cpu time : 27972.4 secs   av.it.:  13.5
+      thresh= 1.285E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.915E-10
+
+      iter #   4 total cpu time : 28060.9 secs   av.it.:  15.5
+      thresh= 2.217E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.187E-12
+
+      iter #   5 total cpu time : 28146.5 secs   av.it.:  15.0
+      thresh= 2.487E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.066E-13
+
+      iter #   6 total cpu time : 28230.6 secs   av.it.:  14.8
+      thresh= 6.376E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.195E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 28283.4 secs   av.it.:   7.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.560E-07
+
+      iter #   2 total cpu time : 28373.0 secs   av.it.:  15.8
+      thresh= 9.778E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.082E-07
+
+      iter #   3 total cpu time : 28458.4 secs   av.it.:  15.0
+      thresh= 7.799E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.819E-10
+
+      iter #   4 total cpu time : 28548.3 secs   av.it.:  15.8
+      thresh= 2.796E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.732E-12
+
+      iter #   5 total cpu time : 28629.5 secs   av.it.:  14.1
+      thresh= 3.120E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.537E-13
+
+      iter #   6 total cpu time : 28707.3 secs   av.it.:  13.4
+      thresh= 6.736E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.255E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 28776.9 secs   av.it.:  11.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.761E-05
+
+      iter #   2 total cpu time : 28872.2 secs   av.it.:  16.7
+      thresh= 4.197E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.611E-05
+
+      iter #   3 total cpu time : 28959.2 secs   av.it.:  15.1
+      thresh= 4.014E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.079E-08
+
+      iter #   4 total cpu time : 29051.5 secs   av.it.:  16.2
+      thresh= 1.755E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.093E-10
+
+      iter #   5 total cpu time : 29135.9 secs   av.it.:  14.8
+      thresh= 2.023E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.054E-12
+
+      iter #   6 total cpu time : 29216.4 secs   av.it.:  14.0
+      thresh= 1.748E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.581E-13
+
+      iter #   7 total cpu time : 29300.9 secs   av.it.:  14.9
+      thresh= 3.976E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.310E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 29352.1 secs   av.it.:   7.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.858E-07
+
+      iter #   2 total cpu time : 29443.5 secs   av.it.:  16.0
+      thresh= 7.654E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.786E-07
+
+      iter #   3 total cpu time : 29530.3 secs   av.it.:  15.3
+      thresh= 6.153E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.944E-10
+
+      iter #   4 total cpu time : 29620.9 secs   av.it.:  15.9
+      thresh= 2.438E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.404E-12
+
+      iter #   5 total cpu time : 29711.1 secs   av.it.:  15.9
+      thresh= 2.099E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.711E-13
+
+      iter #   6 total cpu time : 29798.6 secs   av.it.:  15.2
+      thresh= 8.781E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.206E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 29869.1 secs   av.it.:  11.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.407E-05
+
+      iter #   2 total cpu time : 29964.2 secs   av.it.:  16.7
+      thresh= 4.907E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.291E-05
+
+      iter #   3 total cpu time : 30051.5 secs   av.it.:  15.2
+      thresh= 4.787E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.949E-08
+
+      iter #   4 total cpu time : 30141.1 secs   av.it.:  15.7
+      thresh= 1.987E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.140E-10
+
+      iter #   5 total cpu time : 30227.6 secs   av.it.:  15.1
+      thresh= 1.772E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.450E-12
+
+      iter #   6 total cpu time : 30312.7 secs   av.it.:  14.8
+      thresh= 1.858E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.744E-13
+
+      iter #   7 total cpu time : 30400.2 secs   av.it.:  15.2
+      thresh= 5.238E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.052E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time : 30470.1 secs   av.it.:  11.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.366E-05
+
+      iter #   2 total cpu time : 30564.3 secs   av.it.:  16.5
+      thresh= 4.864E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.046E-05
+
+      iter #   3 total cpu time : 30648.6 secs   av.it.:  14.8
+      thresh= 5.519E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.436E-07
+
+      iter #   4 total cpu time : 30737.9 secs   av.it.:  15.6
+      thresh= 4.936E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.746E-10
+
+      iter #   5 total cpu time : 30816.8 secs   av.it.:  13.8
+      thresh= 2.957E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.088E-11
+
+      iter #   6 total cpu time : 30901.3 secs   av.it.:  14.8
+      thresh= 3.298E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.631E-13
+
+      iter #   7 total cpu time : 30982.3 secs   av.it.:  14.1
+      thresh= 5.129E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.912E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1  -0.500000000  -1.000000000   0.000000000
+          2   0.000000000   1.000000000  -0.500000000
+          3   0.000000000   1.000000000   0.500000000
+          4   0.500000000   1.000000000   0.000000000
+          5   0.000000000  -0.500000000  -1.000000000
+          6   0.000000000   0.500000000  -1.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.500000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       2.723786 [THz] =      90.855734 [cm-1]
+     freq (    2) =       3.070436 [THz] =     102.418721 [cm-1]
+     freq (    3) =       5.542547 [THz] =     184.879451 [cm-1]
+     freq (    4) =       5.790124 [THz] =     193.137757 [cm-1]
+     freq (    5) =       7.065986 [THz] =     235.695928 [cm-1]
+     freq (    6) =       7.423360 [THz] =     247.616620 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, S_4 (-4)    point group:
+
+     freq (   1-   1) =         90.9  [cm-1]   --> B    W_3           
+     freq (   2-   2) =        102.4  [cm-1]   --> E    W_4           
+     freq (   3-   3) =        184.9  [cm-1]   --> A    W_1           
+     freq (   4-   4) =        193.1  [cm-1]   --> E*   W_2           
+     freq (   5-   5) =        235.7  [cm-1]   --> E    W_4           
+     freq (   6-   6) =        247.6  [cm-1]   --> B    W_3           
+
+     init_run     :      1.10s CPU      1.14s WALL (       7 calls)
+     electrons    :   1613.43s CPU   1637.27s WALL (       7 calls)
+
+     Called by init_run:
+     wfcinit      :      0.00s CPU      0.00s WALL (       7 calls)
+     potinit      :      0.10s CPU      0.11s WALL (       7 calls)
+     hinit0       :      0.11s CPU      0.12s WALL (       7 calls)
+
+     Called by electrons:
+     c_bands      :   1613.43s CPU   1637.27s WALL (       7 calls)
+     v_of_rho     :      0.10s CPU      0.10s WALL (       8 calls)
+
+     Called by c_bands:
+     init_us_2    :     77.12s CPU     79.04s WALL (  775316 calls)
+     init_us_2:cp :     76.27s CPU     78.23s WALL (  775316 calls)
+     cegterg      :   1522.33s CPU   1543.59s WALL (   28898 calls)
+
+     Called by *egterg:
+     cdiaghg      :    106.26s CPU    107.77s WALL (  502494 calls)
+     h_psi        :  23478.50s CPU  23895.53s WALL (10634170 calls)
+     g_psi        :      5.68s CPU      5.76s WALL (  476058 calls)
+
+     Called by h_psi:
+     h_psi:calbec :   1916.33s CPU   1949.05s WALL (10634170 calls)
+     vloc_psi     :  19711.20s CPU  20064.36s WALL (10634170 calls)
+     add_vuspsi   :   1793.50s CPU   1824.38s WALL (10634170 calls)
+
+     General routines
+     calbec       :   3817.53s CPU   3883.12s WALL (21193094 calls)
+     fft          :      3.30s CPU      3.48s WALL (    4560 calls)
+     ffts         :     20.84s CPU     21.75s WALL (   82417 calls)
+     fftw         :  20798.31s CPU  21181.13s WALL (******** calls)
+     interpolate  :      0.46s CPU      0.56s WALL (     697 calls)
+     davcio       :     96.38s CPU    110.79s WALL ( 3185712 calls)
+
+     Parallel routines
+
+     PHONON       :      8h27m CPU      8h36m WALL
+
+     INITIALIZATION: 
+     phq_setup    :      0.20s CPU      0.22s WALL (       8 calls)
+     phq_init     :     40.57s CPU     41.44s WALL (       8 calls)
+
+     phq_init     :     40.57s CPU     41.44s WALL (       8 calls)
+     init_vloc    :      0.04s CPU      0.04s WALL (       8 calls)
+     init_us_1    :      0.07s CPU      0.09s WALL (       8 calls)
+     init_us_2    :     77.12s CPU     79.04s WALL (  775316 calls)
+
+     DYNAMICAL MATRIX:
+     dynmat0      :     27.61s CPU     28.09s WALL (       8 calls)
+     phqscf       :  28524.20s CPU  29056.54s WALL (       8 calls)
+     dynmatrix    :      0.01s CPU      0.02s WALL (       8 calls)
+
+     phqscf       :  28524.20s CPU  29056.54s WALL (       8 calls)
+     solve_linter :  28447.78s CPU  28978.41s WALL (      38 calls)
+     drhodv       :     76.32s CPU     77.97s WALL (      38 calls)
+
+     dynmat0      :     27.61s CPU     28.09s WALL (       8 calls)
+     dynmat_us    :     27.59s CPU     28.07s WALL (       8 calls)
+     d2ionq       :      0.02s CPU      0.02s WALL (       8 calls)
+
+     dynmat_us    :     27.59s CPU     28.07s WALL (       8 calls)
+
+     phqscf       :  28524.20s CPU  29056.54s WALL (       8 calls)
+     solve_linter :  28447.78s CPU  28978.41s WALL (      38 calls)
+
+     solve_linter :  28447.78s CPU  28978.41s WALL (      38 calls)
+     dvqpsi_us    :    227.68s CPU    235.83s WALL (   81492 calls)
+     sth_kernel   :  28369.01s CPU  28893.19s WALL (     276 calls)
+     apply_dpot_b :   1008.70s CPU   1036.14s WALL (  522792 calls)
+     ortho        :     66.74s CPU     68.65s WALL (  604284 calls)
+     cgsolve      :  25952.20s CPU  26411.17s WALL (  604284 calls)
+     incdrhoscf   :   1212.65s CPU   1233.57s WALL (  603738 calls)
+     dv_of_drho   :      4.05s CPU      4.23s WALL (     341 calls)
+     mix_pot      :      0.65s CPU      1.03s WALL (     276 calls)
+     psymdvscf    :     16.36s CPU     16.79s WALL (     270 calls)
+
+     dvqpsi_us    :    227.68s CPU    235.83s WALL (   81492 calls)
+     dvqpsi_us_on :     48.97s CPU     50.38s WALL (   81492 calls)
+
+     cgsolve      :  25952.20s CPU  26411.17s WALL (  604284 calls)
+     ch_psi       :  25333.55s CPU  25782.00s WALL (10102778 calls)
+
+     ch_psi       :  25333.55s CPU  25782.00s WALL (10102778 calls)
+     h_psi        :  23478.50s CPU  23895.53s WALL (10634170 calls)
+     last         :   2971.22s CPU   3019.89s WALL (10102778 calls)
+
+     h_psi        :  23478.50s CPU  23895.53s WALL (10634170 calls)
+     add_vuspsi   :   1793.50s CPU   1824.38s WALL (10634170 calls)
+
+     incdrhoscf   :   1212.65s CPU   1233.57s WALL (  603738 calls)
+
+
+      General routines
+     calbec       :   3817.53s CPU   3883.12s WALL (21193094 calls)
+     fft          :      3.30s CPU      3.48s WALL (    4560 calls)
+     ffts         :     20.84s CPU     21.75s WALL (   82417 calls)
+     fftw         :  20798.31s CPU  21181.13s WALL (******** calls)
+     davcio       :     96.38s CPU    110.79s WALL ( 3185712 calls)
+     write_rec    :      0.19s CPU      0.32s WALL (     314 calls)
+
+
+     PHONON       :      8h27m CPU      8h36m WALL
+
+
+   This run was terminated on:   0:57:43   4Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/GaAs/q2r.in b/user_static/data/GaAs/q2r.in
new file mode 100644
index 0000000..37383b6
--- /dev/null
+++ b/user_static/data/GaAs/q2r.in
@@ -0,0 +1,6 @@
+GaAs
+&INPUT
+  fildyn = 'GaAs.dyn'
+  zasr = 'simple'
+  flfrc = 'GaAs.fc'
+/
diff --git a/user_static/data/GaAs/q2r.out b/user_static/data/GaAs/q2r.out
new file mode 100644
index 0000000..ae4cba4
--- /dev/null
+++ b/user_static/data/GaAs/q2r.out
@@ -0,0 +1,127 @@
+
+     Program Q2R v.7.1 starts on  4Jun2024 at  0:57:44 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     238150 MiB available memory on the printing compute node when the environment starts
+
+
+     reading grid info from file GaAs.dyn0    
+  reading force constants from file GaAs.dyn1
+ macroscopic fields = T
+  15.41169   0.00000   0.00000
+   0.00000  15.41169  -0.00000
+   0.00000   0.00000  15.41169
+  na=            1
+   2.20323  -0.00000  -0.00000
+  -0.00000   2.20323  -0.00000
+  -0.00000  -0.00000   2.20323
+  na=            2
+  -2.20888  -0.00000   0.00000
+   0.00000  -2.20888   0.00000
+   0.00000   0.00000  -2.20888
+  nqs=            1
+ q=   0.00000000  0.00000000  0.00000000
+  reading force constants from file GaAs.dyn2
+  nqs=            8
+ q=  -0.25000000  0.25000000 -0.25000000
+ q=   0.25000000 -0.25000000  0.25000000
+ q=   0.25000000 -0.25000000 -0.25000000
+ q=  -0.25000000  0.25000000  0.25000000
+ q=  -0.25000000 -0.25000000  0.25000000
+ q=   0.25000000  0.25000000 -0.25000000
+ q=   0.25000000  0.25000000  0.25000000
+ q=  -0.25000000 -0.25000000 -0.25000000
+  reading force constants from file GaAs.dyn3
+  nqs=            4
+ q=   0.50000000 -0.50000000  0.50000000
+ q=  -0.50000000  0.50000000  0.50000000
+ q=   0.50000000  0.50000000 -0.50000000
+ q=  -0.50000000 -0.50000000 -0.50000000
+  reading force constants from file GaAs.dyn4
+  nqs=            6
+ q=   0.00000000  0.50000000  0.00000000
+ q=  -0.50000000  0.00000000  0.00000000
+ q=   0.00000000 -0.50000000  0.00000000
+ q=   0.00000000  0.00000000  0.50000000
+ q=   0.00000000  0.00000000 -0.50000000
+ q=   0.50000000  0.00000000  0.00000000
+  reading force constants from file GaAs.dyn5
+  nqs=           24
+ q=   0.75000000 -0.25000000  0.75000000
+ q=  -0.75000000  0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000 -0.75000000
+ q=   0.75000000  0.25000000  0.75000000
+ q=   0.25000000 -0.75000000  0.75000000
+ q=  -0.25000000  0.75000000 -0.75000000
+ q=  -0.75000000  0.25000000  0.75000000
+ q=   0.75000000 -0.25000000 -0.75000000
+ q=   0.75000000  0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000  0.75000000
+ q=   0.75000000  0.75000000 -0.25000000
+ q=  -0.75000000 -0.75000000  0.25000000
+ q=  -0.75000000 -0.75000000 -0.25000000
+ q=   0.75000000  0.75000000  0.25000000
+ q=  -0.75000000  0.75000000  0.25000000
+ q=   0.75000000 -0.75000000 -0.25000000
+ q=  -0.25000000  0.75000000  0.75000000
+ q=   0.25000000 -0.75000000 -0.75000000
+ q=   0.25000000  0.75000000 -0.75000000
+ q=  -0.25000000 -0.75000000  0.75000000
+ q=  -0.25000000 -0.75000000 -0.75000000
+ q=   0.25000000  0.75000000  0.75000000
+ q=   0.75000000 -0.75000000  0.25000000
+ q=  -0.75000000  0.75000000 -0.25000000
+  reading force constants from file GaAs.dyn6
+  nqs=           12
+ q=   0.50000000  0.00000000  0.50000000
+ q=  -0.50000000  0.00000000 -0.50000000
+ q=   0.00000000 -0.50000000  0.50000000
+ q=  -0.50000000  0.00000000  0.50000000
+ q=   0.50000000  0.00000000 -0.50000000
+ q=   0.50000000  0.50000000  0.00000000
+ q=  -0.50000000 -0.50000000  0.00000000
+ q=  -0.50000000  0.50000000  0.00000000
+ q=   0.00000000  0.50000000  0.50000000
+ q=   0.00000000  0.50000000 -0.50000000
+ q=   0.00000000 -0.50000000 -0.50000000
+ q=   0.50000000 -0.50000000  0.00000000
+  reading force constants from file GaAs.dyn7
+  nqs=            3
+ q=   0.00000000 -1.00000000  0.00000000
+ q=   0.00000000  0.00000000 -1.00000000
+ q=  -1.00000000  0.00000000  0.00000000
+  reading force constants from file GaAs.dyn8
+  nqs=            6
+ q=  -0.50000000 -1.00000000  0.00000000
+ q=   0.00000000  1.00000000 -0.50000000
+ q=   0.00000000  1.00000000  0.50000000
+ q=   0.50000000  1.00000000  0.00000000
+ q=   0.00000000 -0.50000000 -1.00000000
+ q=   0.00000000  0.50000000 -1.00000000
+
+      q-space grid ok, #points =   64
+
+      fft-check success (sum of imaginary terms < 10^-12)
+
+     Q2R          :      0.03s CPU      0.03s WALL
+
+
+   This run was terminated on:   0:57:44   4Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/GaAs/scf.in b/user_static/data/GaAs/scf.in
new file mode 100644
index 0000000..1dd9d2d
--- /dev/null
+++ b/user_static/data/GaAs/scf.in
@@ -0,0 +1,32 @@
+  &control
+    calculation='scf',
+    restart_mode='from_scratch',
+    prefix='GaAs',
+    pseudo_dir ='/home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06'
+    outdir='/home/bonacc_m/Documents/phonons/GaAs/TMP'
+  /
+  &system
+    ibrav = 2
+    celldm(1) = 10.861462
+    nat = 2
+    ntyp = 2
+    ecutwfc = 80
+    ecutrho = 640
+  /
+
+  &electrons
+    mixing_mode = 'plain'
+    mixing_beta = 0.7
+    conv_thr = 1.0e-8
+  /
+
+  ATOMIC_SPECIES
+    Ga 69.723    Ga_ONCV_PBE-1.2.upf
+    As 74.921595 As_ONCV_PBE-1.2.upf
+
+  ATOMIC_POSITIONS (alat)
+    Ga 0.00 0.00 0.00
+    As 0.25 0.25 0.25
+
+  K_POINTS AUTOMATIC
+   12 12 12 1 1 1
diff --git a/user_static/data/GaAs/scf.out b/user_static/data/GaAs/scf.out
new file mode 100644
index 0000000..fbbb9ad
--- /dev/null
+++ b/user_static/data/GaAs/scf.out
@@ -0,0 +1,284 @@
+
+     Program PWSCF v.7.1 starts on  3Jun2024 at 16:20:51 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     241134 MiB available memory on the printing compute node when the environment starts
+
+     Waiting for input...
+     Reading input from standard input
+
+     Current dimensions of program PWSCF are:
+     Max number of different atomic species (ntypx) = 10
+     Max number of k-points (npk) =  40000
+     Max angular momentum in pseudopotentials (lmaxx) =  4
+     Message from routine setup:
+     no reason to have ecutrho>4*ecutwfc
+
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         215     107     32                 7301     2576     421
+     Max         216     108     33                 7306     2581     424
+     Sum        2587    1285    385                87651    30923    5065
+
+     Using Slab Decomposition
+
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =      10.8615  a.u.
+     unit-cell volume          =     320.3354 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            2
+     number of electrons       =        18.00
+     number of Kohn-Sham states=            9
+     kinetic-energy cutoff     =      80.0000  Ry
+     charge density cutoff     =     640.0000  Ry
+     scf convergence threshold =      1.0E-08
+     mixing beta               =       0.7000
+     number of iterations used =            8  plain     mixing
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=  10.861462  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Ga read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Ga_ONCV_PBE-1.2.upf
+     MD5 check sum: 9961a622ff199abf6dfec9a0a10b8555
+     Pseudo is Norm-conserving, Zval = 13.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     PseudoPot. # 2 for As read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/As_ONCV_PBE-1.2.upf
+     MD5 check sum: a2ff92a4799c87c945fff9e6739df4dd
+     Pseudo is Norm-conserving, Zval =  5.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  6 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+                l(5) =   2
+                l(6) =   2
+
+     atomic species   valence    mass     pseudopotential
+        Ga            13.00    69.72300     Ga( 1.00)
+        As             5.00    74.92159     As( 1.00)
+
+     24 Sym. Ops. (no inversion) found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Ga  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           As  tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   182
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    87651 G-vectors     FFT dimensions: (  64,  64,  64)
+
+     Smooth grid:    30923 G-vectors     FFT dimensions: (  45,  45,  45)
+
+     Estimated max dynamical RAM per process >      17.43 MB
+
+     Estimated total dynamical RAM >     209.21 MB
+
+     Initial potential from superposition of free atoms
+
+     starting charge      17.8922, renormalised to      18.0000
+     Starting wfcs are random
+
+     total cpu time spent up to now is        0.8 secs
+
+     Self-consistent Calculation
+
+     iteration #  1     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.00E-02,  avg # of iterations = 15.8
+
+     Threshold (ethr) on eigenvalues was too large:
+     Diagonalizing with lowered threshold
+
+     Davidson diagonalization with overlap
+     ethr =  4.31E-04,  avg # of iterations =  2.2
+
+     total cpu time spent up to now is       10.7 secs
+
+     total energy              =    -144.00681147 Ry
+     estimated scf accuracy    <       0.07053317 Ry
+
+     iteration #  2     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  3.92E-04,  avg # of iterations =  3.0
+
+     total cpu time spent up to now is       12.9 secs
+
+     total energy              =    -144.02721429 Ry
+     estimated scf accuracy    <       0.01328815 Ry
+
+     iteration #  3     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  7.38E-05,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is       14.6 secs
+
+     total energy              =    -144.02888203 Ry
+     estimated scf accuracy    <       0.00060656 Ry
+
+     iteration #  4     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  3.37E-06,  avg # of iterations =  4.9
+
+     total cpu time spent up to now is       17.2 secs
+
+     total energy              =    -144.02906540 Ry
+     estimated scf accuracy    <       0.00028701 Ry
+
+     iteration #  5     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.59E-06,  avg # of iterations =  2.4
+
+     total cpu time spent up to now is       19.1 secs
+
+     total energy              =    -144.02911759 Ry
+     estimated scf accuracy    <       0.00000336 Ry
+
+     iteration #  6     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.87E-08,  avg # of iterations =  4.2
+
+     total cpu time spent up to now is       21.7 secs
+
+     total energy              =    -144.02912140 Ry
+     estimated scf accuracy    <       0.00000006 Ry
+
+     iteration #  7     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  3.58E-10,  avg # of iterations =  3.6
+
+     total cpu time spent up to now is       24.0 secs
+
+     total energy              =    -144.02912142 Ry
+     estimated scf accuracy    <       0.00000004 Ry
+
+     iteration #  8     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.33E-10,  avg # of iterations =  3.2
+
+     total cpu time spent up to now is       26.2 secs
+
+     total energy              =    -144.02912144 Ry
+     estimated scf accuracy    <       0.00000001 Ry
+
+     iteration #  9     ecut=    80.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  5.94E-11,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is       27.7 secs
+
+     End of self-consistent calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     6.5665
+
+!    total energy              =    -144.02912144 Ry
+     estimated scf accuracy    <          1.9E-09 Ry
+
+     The total energy is the sum of the following terms:
+     one-electron contribution =     -85.09580441 Ry
+     hartree contribution      =      53.76527738 Ry
+     xc contribution           =     -21.20861649 Ry
+     ewald contribution        =     -91.48997791 Ry
+
+     convergence has been achieved in   9 iterations
+
+     Writing all to output data dir /home/bonacc_m/Documents/phonons/GaAs/TMP/GaAs.save/
+
+     init_run     :      0.68s CPU      0.70s WALL (       1 calls)
+     electrons    :     26.60s CPU     27.00s WALL (       1 calls)
+
+     Called by init_run:
+     wfcinit      :      0.58s CPU      0.59s WALL (       1 calls)
+     potinit      :      0.03s CPU      0.03s WALL (       1 calls)
+     hinit0       :      0.01s CPU      0.01s WALL (       1 calls)
+
+     Called by electrons:
+     c_bands      :     24.47s CPU     24.83s WALL (      10 calls)
+     sum_band     :      2.01s CPU      2.04s WALL (      10 calls)
+     v_of_rho     :      0.11s CPU      0.12s WALL (      10 calls)
+     mix_rho      :      0.01s CPU      0.01s WALL (      10 calls)
+
+     Called by c_bands:
+     init_us_2    :      0.35s CPU      0.36s WALL (    3822 calls)
+     init_us_2:cp :      0.35s CPU      0.36s WALL (    3822 calls)
+     cegterg      :     23.56s CPU     23.91s WALL (    1820 calls)
+
+     Called by *egterg:
+     cdiaghg      :      0.82s CPU      0.83s WALL (    9520 calls)
+     h_psi        :     19.59s CPU     19.89s WALL (    9884 calls)
+     g_psi        :      0.07s CPU      0.08s WALL (    7882 calls)
+
+     Called by h_psi:
+     h_psi:calbec :      1.73s CPU      1.76s WALL (    9884 calls)
+     vloc_psi     :     16.40s CPU     16.64s WALL (    9884 calls)
+     add_vuspsi   :      1.41s CPU      1.43s WALL (    9884 calls)
+
+     General routines
+     calbec       :      1.73s CPU      1.75s WALL (    9884 calls)
+     fft          :      0.06s CPU      0.06s WALL (     118 calls)
+     ffts         :      0.00s CPU      0.00s WALL (      20 calls)
+     fftw         :     17.27s CPU     17.52s WALL (  151552 calls)
+     interpolate  :      0.01s CPU      0.01s WALL (      10 calls)
+
+     Parallel routines
+
+     PWSCF        :     27.53s CPU     28.04s WALL
+
+
+   This run was terminated on:  16:21:19   3Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/aluminum.json b/user_static/data/aluminum.json
new file mode 100644
index 0000000..9f49854
--- /dev/null
+++ b/user_static/data/aluminum.json
@@ -0,0 +1 @@
+{"name": "Aluminum", "natoms": 1, "lattice": [[-1.9660314303264295, 0.0, 1.9660314303264295], [0.0, 1.9660314303264295, 1.9660314303264295], [-1.9660314303264295, 1.9660314303264295, 0.0]], "atom_types": ["Al"], "atom_numbers": [13], "formula": "Al", "qpoints": [[-0.0, 0.0, 0.0], [0.02500007383057932, -1.3701821416934869e-18, 0.02500007383057932], [0.05000014766115864, -2.7403642833869738e-18, 0.05000014766115864], [0.07500022149173798, 6.2977944307803815e-18, 0.07500022149173798], [0.10000029532231729, -5.4807285667739475e-18, 0.10000029532231729], [0.1250003691528966, -1.2066283853220958e-17, 0.1250003691528966], [0.15000044298347595, 1.2595588861560763e-17, 0.15000044298347595], [0.17500051681405526, 9.50188596071357e-18, 0.17500051681405526], [0.20000059064463457, -1.0961457133547895e-17, 0.20000059064463457], [0.2250006644752139, -3.669224612180449e-18, 0.2250006644752139], [0.2500007383057932, -2.4132567706441916e-17, 0.2500007383057932], [0.27500081213637256, 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0.0], [1.0, 0.0]]]], [[[[0.0, 0.0], [1.0, 0.0], [0.0, 0.0]]], [[[1.0, 0.0], [-0.0, -0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]], [[[[0.0, -0.0], [1.0, -0.0], [0.0, 0.0]]], [[[-1.0, 0.0], [0.0, 0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]], [[[[-0.0, 0.0], [-1.0, 0.0], [0.0, 0.0]]], [[[1.0, 0.0], [-0.0, 0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]], [[[[0.0, 0.0], [1.0, 0.0], [0.0, 0.0]]], [[[1.0, -0.0], [-0.0, 0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]], [[[[0.0, 0.0], [1.0, -0.0], [0.0, 0.0]]], [[[1.0, -0.0], [0.0, -0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]], [[[[-0.0, 0.0], [1.0, -0.0], [0.0, 0.0]]], [[[1.0, 0.0], [0.0, 0.0], [0.0, 0.0]]], [[[0.0, 0.0], [0.0, 0.0], [1.0, 0.0]]]]]}
\ No newline at end of file
diff --git a/user_static/data/aluminum/matdyn.in b/user_static/data/aluminum/matdyn.in
new file mode 100644
index 0000000..433031e
--- /dev/null
+++ b/user_static/data/aluminum/matdyn.in
@@ -0,0 +1,17 @@
+&INPUT
+  asr = 'crystal'
+  flfrc = 'fc'
+  flfrq = 'freq'
+  flvec = 'modes'
+!  loto_2d = .true.
+  q_in_cryst_coord = .true.
+  q_in_band_form = .true.
+/
+7
+0.000 0.000 0.000  20 ! G
+0.5000000000	0.0000000000	0.5000000000  20 ! X
+0.6250000000	0.2500000000	0.6250000000 30 ! U
+1 1 1 20 ! G
+0.5000000000	0.5000000000	0.5000000000  20 ! L
+0.5000000000	0.2500000000	0.7500000000   20 ! W
+0.5000000000	0.0000000000	0.5000000000  1 ! X
\ No newline at end of file
diff --git a/user_static/data/aluminum/matdyn.modes b/user_static/data/aluminum/matdyn.modes
new file mode 100644
index 0000000..8690d63
--- /dev/null
+++ b/user_static/data/aluminum/matdyn.modes
@@ -0,0 +1,1441 @@
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      -0.000000 [THz] =      -0.000002 [cm-1]
+ (  0.730098   0.000000     0.680828   0.000000     0.058569   0.000000   )
+     freq (    2) =       0.000000 [THz] =       0.000001 [cm-1]
+ ( -0.683060   0.000000     0.724646   0.000000     0.091198   0.000000   )
+     freq (    3) =       0.000000 [THz] =       0.000004 [cm-1]
+ (  0.019649   0.000000    -0.106589   0.000000     0.994109   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.0500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.640760 [THz] =      21.373458 [cm-1]
+ ( -0.000000   0.000000    -0.619690  -0.000000     0.784846   0.000000   )
+     freq (    2) =       0.640760 [THz] =      21.373458 [cm-1]
+ ( -0.000000   0.000000    -0.784846  -0.000000    -0.619690   0.000000   )
+     freq (    3) =       0.953871 [THz] =      31.817706 [cm-1]
+ ( -1.000000  -0.000000     0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.265140 [THz] =      42.200539 [cm-1]
+ (  0.000000  -0.000000     0.998600  -0.000000     0.052889  -0.000000   )
+     freq (    2) =       1.265140 [THz] =      42.200539 [cm-1]
+ ( -0.000000   0.000000    -0.052889   0.000000     0.998600   0.000000   )
+     freq (    3) =       1.890675 [THz] =      63.066131 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.859014 [THz] =      62.010042 [cm-1]
+ (  0.000000  -0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       1.859014 [THz] =      62.010042 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       2.795485 [THz] =      93.247332 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.412400 [THz] =      80.469001 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       2.412400 [THz] =      80.469001 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       3.657287 [THz] =     121.993962 [cm-1]
+ (  1.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       2.920642 [THz] =      97.422146 [cm-1]
+ (  0.000000   0.000000     0.983551   0.000000     0.180629  -0.000000   )
+     freq (    2) =       2.920642 [THz] =      97.422146 [cm-1]
+ ( -0.000000   0.000000    -0.180629  -0.000000     0.983551   0.000000   )
+     freq (    3) =       4.470075 [THz] =     149.105663 [cm-1]
+ (  1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       3.384608 [THz] =     112.898368 [cm-1]
+ ( -0.000000   0.000000    -0.995951  -0.000000    -0.089896   0.000000   )
+     freq (    2) =       3.384608 [THz] =     112.898368 [cm-1]
+ ( -0.000000   0.000000    -0.089896  -0.000000     0.995951   0.000000   )
+     freq (    3) =       5.233020 [THz] =     174.554754 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       3.809745 [THz] =     127.079417 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       3.809745 [THz] =     127.079417 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       5.949636 [THz] =     198.458491 [cm-1]
+ (  1.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       4.204121 [THz] =     140.234384 [cm-1]
+ (  0.000000  -0.000000     0.947884  -0.000000    -0.318615   0.000000   )
+     freq (    2) =       4.204121 [THz] =     140.234384 [cm-1]
+ (  0.000000  -0.000000     0.318615  -0.000000     0.947884   0.000000   )
+     freq (    3) =       6.626081 [THz] =     221.022284 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       4.575867 [THz] =     152.634486 [cm-1]
+ (  0.000000  -0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       4.575867 [THz] =     152.634486 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       7.268952 [THz] =     242.466148 [cm-1]
+ (  1.000000   0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       4.930745 [THz] =     164.471963 [cm-1]
+ (  0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       4.930745 [THz] =     164.471963 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       7.883111 [THz] =     262.952282 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       5.270591 [THz] =     175.807980 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       5.270591 [THz] =     175.807980 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       8.470097 [THz] =     282.532038 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       5.593059 [THz] =     186.564378 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       5.593059 [THz] =     186.564378 [cm-1]
+ ( -0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.027480 [THz] =     301.124320 [cm-1]
+ (  1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       5.892634 [THz] =     196.557108 [cm-1]
+ ( -0.000000  -0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       5.892634 [THz] =     196.557108 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       9.549202 [THz] =     318.527079 [cm-1]
+ (  1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.162375 [THz] =     205.554701 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       6.162375 [THz] =     205.554701 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.026669 [THz] =     334.453664 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.395760 [THz] =     213.339574 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       6.395760 [THz] =     213.339574 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =      10.450176 [THz] =     348.580359 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.588042 [THz] =     219.753416 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       6.588042 [THz] =     219.753416 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =      10.810264 [THz] =     360.591587 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.736826 [THz] =     224.716331 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    2) =       6.736826 [THz] =     224.716331 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =      11.098722 [THz] =     370.213515 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.841826 [THz] =     228.218763 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       6.841826 [THz] =     228.218763 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.309149 [THz] =     377.232594 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.904021 [THz] =     230.293357 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       6.904021 [THz] =     230.293357 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.437107 [THz] =     381.500812 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.924585 [THz] =     230.979303 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       6.924585 [THz] =     230.979303 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.480036 [THz] =     382.932788 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0125      0.0125
+ **************************************************************************
+     freq (    1) =       6.923644 [THz] =     230.947909 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.933476 [THz] =     231.275875 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      11.476779 [THz] =     382.824153 [cm-1]
+ ( -1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0250
+ **************************************************************************
+     freq (    1) =       6.920822 [THz] =     230.853765 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.959977 [THz] =     232.159829 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      11.467011 [THz] =     382.498321 [cm-1]
+ ( -1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0375      0.0375
+ **************************************************************************
+     freq (    1) =       6.916122 [THz] =     230.696987 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.003576 [THz] =     233.614151 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+     freq (    3) =      11.450738 [THz] =     381.955514 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0500
+ **************************************************************************
+     freq (    1) =       6.909549 [THz] =     230.477760 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       7.063451 [THz] =     235.611362 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      11.427972 [THz] =     381.196114 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0625      0.0625
+ **************************************************************************
+     freq (    1) =       6.901112 [THz] =     230.196331 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.138500 [THz] =     238.114740 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000     0.707107   0.000000   )
+     freq (    3) =      11.398729 [THz] =     380.220676 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0750
+ **************************************************************************
+     freq (    1) =       6.890820 [THz] =     229.852997 [cm-1]
+ (  0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       7.227392 [THz] =     241.079853 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+     freq (    3) =      11.363032 [THz] =     379.029952 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0875      0.0875
+ **************************************************************************
+     freq (    1) =       6.878681 [THz] =     229.448094 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.328615 [THz] =     244.456271 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      11.320910 [THz] =     377.624915 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.1000
+ **************************************************************************
+     freq (    1) =       6.864707 [THz] =     228.981974 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.440529 [THz] =     248.189316 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      11.272400 [THz] =     376.006796 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1125      0.1125
+ **************************************************************************
+     freq (    1) =       6.848908 [THz] =     228.454992 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.561418 [THz] =     252.221750 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000     0.707107   0.000000   )
+     freq (    3) =      11.217548 [THz] =     374.177111 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.1250
+ **************************************************************************
+     freq (    1) =       6.831295 [THz] =     227.867480 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       7.689536 [THz] =     256.495306 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      11.156408 [THz] =     372.137705 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1375      0.1375
+ **************************************************************************
+     freq (    1) =       6.811876 [THz] =     227.219729 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       7.823145 [THz] =     260.952020 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      11.089047 [THz] =     369.890788 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.1500
+ **************************************************************************
+     freq (    1) =       6.790658 [THz] =     226.511967 [cm-1]
+ (  0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       7.960549 [THz] =     265.535333 [cm-1]
+ (  0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      11.015543 [THz] =     367.438978 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1625      0.1625
+ **************************************************************************
+     freq (    1) =       6.767645 [THz] =     225.744335 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.100121 [THz] =     270.190970 [cm-1]
+ (  0.000000  -0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      10.935989 [THz] =     364.785336 [cm-1]
+ ( -1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.1750
+ **************************************************************************
+     freq (    1) =       6.742838 [THz] =     224.916865 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       8.240323 [THz] =     274.867604 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.850491 [THz] =     361.933411 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1875      0.1875
+ **************************************************************************
+     freq (    1) =       6.716234 [THz] =     224.029463 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.379719 [THz] =     279.517340 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      10.759170 [THz] =     358.887271 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.2000
+ **************************************************************************
+     freq (    1) =       6.687827 [THz] =     223.081884 [cm-1]
+ (  0.000000  -0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.516985 [THz] =     284.096027 [cm-1]
+ (  0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+     freq (    3) =      10.662165 [THz] =     355.651535 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2125      0.2125
+ **************************************************************************
+     freq (    1) =       6.657603 [THz] =     222.073725 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000     0.707107   0.000000   )
+     freq (    2) =       8.650915 [THz] =     288.563454 [cm-1]
+ ( -0.000000   0.000000    -0.707107   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.559632 [THz] =     352.231400 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.2250
+ **************************************************************************
+     freq (    1) =       6.625545 [THz] =     221.004402 [cm-1]
+ (  0.000000  -0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.780424 [THz] =     292.883421 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      10.451744 [THz] =     348.632660 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2375      0.2375
+ **************************************************************************
+     freq (    1) =       6.591631 [THz] =     219.873145 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.904548 [THz] =     297.023742 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      10.338694 [THz] =     344.861721 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.2500
+ **************************************************************************
+     freq (    1) =       6.555831 [THz] =     218.678989 [cm-1]
+ (  0.000000  -0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       9.022439 [THz] =     300.956175 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =      10.220692 [THz] =     340.925603 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.2750
+ **************************************************************************
+     freq (    1) =       6.478429 [THz] =     216.097142 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       9.236706 [THz] =     308.103346 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =       9.970766 [THz] =     332.588946 [cm-1]
+ ( -1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.3000
+ **************************************************************************
+     freq (    1) =       6.392991 [THz] =     213.247241 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       9.418649 [THz] =     314.172297 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+     freq (    3) =       9.704003 [THz] =     323.690702 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.3250
+ **************************************************************************
+     freq (    1) =       6.299083 [THz] =     210.114786 [cm-1]
+ (  0.000000   0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       9.422696 [THz] =     314.307300 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    3) =       9.565246 [THz] =     319.062279 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.3500
+ **************************************************************************
+     freq (    1) =       6.196197 [THz] =     206.682870 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       9.129335 [THz] =     304.521829 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.674805 [THz] =     322.716742 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.3750
+ **************************************************************************
+     freq (    1) =       6.083775 [THz] =     202.932893 [cm-1]
+ (  0.000000   0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.826535 [THz] =     294.421522 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    3) =       9.746699 [THz] =     325.114890 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.4000
+ **************************************************************************
+     freq (    1) =       5.961237 [THz] =     198.845454 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.516940 [THz] =     284.094535 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.781114 [THz] =     326.262852 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.4250
+ **************************************************************************
+     freq (    1) =       5.828006 [THz] =     194.401367 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.203105 [THz] =     273.626131 [cm-1]
+ ( -1.000000   0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       9.778774 [THz] =     326.184792 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.4500
+ **************************************************************************
+     freq (    1) =       5.683547 [THz] =     189.582732 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.887373 [THz] =     263.094457 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.740687 [THz] =     324.914335 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.4750
+ **************************************************************************
+     freq (    1) =       5.527393 [THz] =     184.373986 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.571744 [THz] =     252.566205 [cm-1]
+ ( -1.000000   0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       9.667907 [THz] =     322.486677 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =       5.359176 [THz] =     178.762873 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       7.257751 [THz] =     242.092500 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.561335 [THz] =     318.931810 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =       5.178653 [THz] =     172.741264 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.946354 [THz] =     231.705423 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.421555 [THz] =     314.269242 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =       4.985722 [THz] =     166.305789 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.637872 [THz] =     221.415589 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.248733 [THz] =     308.504525 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =       4.780438 [THz] =     159.458239 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.331951 [THz] =     211.211138 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       9.042574 [THz] =     301.627794 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =       4.563013 [THz] =     152.205728 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       6.027579 [THz] =     201.058394 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       8.802337 [THz] =     293.614351 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =       4.333818 [THz] =     144.560605 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       5.723166 [THz] =     190.904252 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       8.526912 [THz] =     284.427164 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =       4.093370 [THz] =     136.540136 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       5.416655 [THz] =     180.680174 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       8.214942 [THz] =     274.020984 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =       3.842319 [THz] =     128.165971 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       5.105688 [THz] =     170.307436 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       7.864985 [THz] =     262.347655 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =       3.581424 [THz] =     119.463439 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       4.787781 [THz] =     159.703170 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       7.475688 [THz] =     249.362114 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =       3.311529 [THz] =     110.460716 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       4.460511 [THz] =     148.786639 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       7.045979 [THz] =     235.028575 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =       3.033537 [THz] =     101.187909 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       4.121703 [THz] =     137.485206 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       6.575240 [THz] =     219.326391 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =       2.748381 [THz] =      91.676123 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       3.769577 [THz] =     125.739555 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    3) =       6.063458 [THz] =     202.255193 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =       2.456996 [THz] =      81.956557 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       3.402879 [THz] =     113.507828 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    3) =       5.511354 [THz] =     183.838985 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       2.160295 [THz] =      72.059688 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       3.020964 [THz] =     100.768502 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    3) =       4.920463 [THz] =     164.128972 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       1.859151 [THz] =      62.014594 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       2.623841 [THz] =      87.521927 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       4.293179 [THz] =     143.205024 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       1.554377 [THz] =      51.848446 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       2.212186 [THz] =      73.790580 [cm-1]
+ ( -1.000000  -0.000000     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    3) =       3.632757 [THz] =     121.175732 [cm-1]
+ ( -0.000000  -0.000000     0.707107  -0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       1.246723 [THz] =      41.586210 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       1.787307 [THz] =      59.618135 [cm-1]
+ ( -1.000000  -0.000000     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    3) =       2.943276 [THz] =      98.177124 [cm-1]
+ ( -0.000000  -0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       0.936868 [THz] =      31.250569 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       1.351090 [THz] =      45.067500 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       2.229561 [THz] =      74.370138 [cm-1]
+ ( -0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       0.625429 [THz] =      20.862055 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000    -0.707107   0.000000   )
+     freq (    2) =       0.905912 [THz] =      30.217984 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    3) =       1.497074 [THz] =      49.937010 [cm-1]
+ (  0.000000   0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       0.312965 [THz] =      10.439393 [cm-1]
+ (  0.000000   0.000000     0.707107  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       0.454539 [THz] =      15.161791 [cm-1]
+ ( -1.000000  -0.000000     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    3) =       0.751782 [THz] =      25.076762 [cm-1]
+ ( -0.000000  -0.000000     0.707107   0.000000     0.707107   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      1.0000      1.0000
+ **************************************************************************
+     freq (    1) =      -0.000000 [THz] =      -0.000002 [cm-1]
+ ( -0.730098  -0.000000    -0.680828   0.000000    -0.058569   0.000000   )
+     freq (    2) =       0.000000 [THz] =       0.000001 [cm-1]
+ ( -0.683060  -0.000000     0.724646   0.000000     0.091198   0.000000   )
+     freq (    3) =       0.000000 [THz] =       0.000004 [cm-1]
+ (  0.019649   0.000000    -0.106589  -0.000000     0.994109   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       0.448375 [THz] =      14.956192 [cm-1]
+ ( -0.584475  -0.000000    -0.785990  -0.000000     0.201515   0.000000   )
+     freq (    2) =       0.448375 [THz] =      14.956192 [cm-1]
+ (  0.570136   0.000000    -0.221102   0.000000     0.791239   0.000000   )
+     freq (    3) =       0.949560 [THz] =      31.673903 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       0.893362 [THz] =      29.799360 [cm-1]
+ ( -0.552631  -0.000000    -0.796843  -0.000000     0.244212   0.000000   )
+     freq (    2) =       0.893362 [THz] =      29.799360 [cm-1]
+ (  0.601053   0.000000    -0.178066   0.000000     0.779120   0.000000   )
+     freq (    3) =       1.889362 [THz] =      63.022347 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       1.331471 [THz] =      44.413109 [cm-1]
+ ( -0.677762  -0.000000    -0.733189  -0.000000     0.055427   0.000000   )
+     freq (    2) =       1.331471 [THz] =      44.413109 [cm-1]
+ ( -0.455308  -0.000000     0.359305  -0.000000    -0.814613   0.000000   )
+     freq (    3) =       2.809827 [THz] =      93.725753 [cm-1]
+ ( -0.577350  -0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       1.759041 [THz] =      58.675289 [cm-1]
+ ( -0.536731  -0.000000    -0.801226  -0.000000     0.264495   0.000000   )
+     freq (    2) =       1.759041 [THz] =      58.675289 [cm-1]
+ ( -0.615294  -0.000000     0.157175  -0.000000    -0.772469   0.000000   )
+     freq (    3) =       3.701731 [THz] =     123.476465 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       2.172219 [THz] =      72.457411 [cm-1]
+ ( -0.554677  -0.000000    -0.796232  -0.000000     0.241554   0.000000   )
+     freq (    2) =       2.172219 [THz] =      72.457411 [cm-1]
+ ( -0.599166  -0.000000     0.180782  -0.000000    -0.779948   0.000000   )
+     freq (    3) =       4.556398 [THz] =     151.985066 [cm-1]
+ ( -0.577350  -0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       2.567013 [THz] =      85.626344 [cm-1]
+ ( -0.589674  -0.000000    -0.783931  -0.000000     0.194257   0.000000   )
+     freq (    2) =       2.567013 [THz] =      85.626344 [cm-1]
+ ( -0.564757  -0.000000     0.228294  -0.000000    -0.793052   0.000000   )
+     freq (    3) =       5.365894 [THz] =     178.986970 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       2.939417 [THz] =      98.048412 [cm-1]
+ (  0.000000  -0.707107     0.000000  -0.707107     0.000000   0.000000   )
+     freq (    2) =       2.939417 [THz] =      98.048412 [cm-1]
+ ( -0.408248   0.000000     0.408248   0.000000    -0.816497   0.000000   )
+     freq (    3) =       6.123236 [THz] =     204.249153 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =       3.285593 [THz] =     109.595585 [cm-1]
+ ( -0.655047  -0.000000    -0.749643  -0.000000     0.094597   0.000000   )
+     freq (    2) =       3.285593 [THz] =     109.595585 [cm-1]
+ ( -0.487422  -0.000000     0.323576  -0.000000    -0.810998   0.000000   )
+     freq (    3) =       6.822579 [THz] =     227.576727 [cm-1]
+ ( -0.577350  -0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =       3.602100 [THz] =     120.153113 [cm-1]
+ ( -0.408248   0.000000     0.408248   0.000000    -0.816497   0.000000   )
+     freq (    2) =       3.602100 [THz] =     120.153113 [cm-1]
+ (  0.000000  -0.707107     0.000000  -0.707107     0.000000   0.000000   )
+     freq (    3) =       7.459403 [THz] =     248.818899 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =       3.886141 [THz] =     129.627713 [cm-1]
+ (  0.754253  -0.000000     0.647915  -0.000000     0.106338   0.000000   )
+     freq (    2) =       3.886141 [THz] =     129.627713 [cm-1]
+ (  0.312680   0.000000    -0.496863   0.000000     0.809542   0.000000   )
+     freq (    3) =       8.030653 [THz] =     267.873752 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =       4.135794 [THz] =     137.955230 [cm-1]
+ ( -0.127951   0.000000     0.634395   0.000000    -0.762346   0.000000   )
+     freq (    2) =       4.135794 [THz] =     137.955230 [cm-1]
+ (  0.806409   0.000000     0.514013   0.000000     0.292396   0.000000   )
+     freq (    3) =       8.534827 [THz] =     284.691179 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =       4.350188 [THz] =     145.106662 [cm-1]
+ ( -0.408248   0.000000     0.408248   0.000000    -0.816497   0.000000   )
+     freq (    2) =       4.350188 [THz] =     145.106662 [cm-1]
+ (  0.707107   0.000000     0.707107   0.000000     0.000000   0.000000   )
+     freq (    3) =       8.971988 [THz] =     299.273301 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =       4.529609 [THz] =     151.091481 [cm-1]
+ (  0.000000   0.707107    -0.000000   0.707107     0.000000   0.000000   )
+     freq (    2) =       4.529609 [THz] =     151.091481 [cm-1]
+ ( -0.408248   0.000000     0.408248   0.000000    -0.816497   0.000000   )
+     freq (    3) =       9.343685 [THz] =     311.671785 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =       4.675484 [THz] =     155.957363 [cm-1]
+ ( -0.203266   0.000000    -0.786478   0.000000     0.583212   0.000000   )
+     freq (    2) =       4.675484 [THz] =     155.957363 [cm-1]
+ ( -0.790791   0.000000    -0.219362   0.000000    -0.571429   0.000000   )
+     freq (    3) =       9.652767 [THz] =     321.981662 [cm-1]
+ ( -0.577350   0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =       4.790256 [THz] =     159.785731 [cm-1]
+ ( -0.289524   0.000000    -0.805921   0.000000     0.516398   0.000000   )
+     freq (    2) =       4.790256 [THz] =     159.785731 [cm-1]
+ ( -0.763441   0.000000    -0.130986   0.000000    -0.632456   0.000000   )
+     freq (    3) =       9.903091 [THz] =     330.331554 [cm-1]
+ ( -0.577350   0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =       4.877113 [THz] =     162.682982 [cm-1]
+ (  0.484497   0.000000     0.811412   0.000000    -0.326915   0.000000   )
+     freq (    2) =       4.877113 [THz] =     162.682982 [cm-1]
+ (  0.657213   0.000000    -0.090980   0.000000     0.748193   0.000000   )
+     freq (    3) =      10.099128 [THz] =     336.870640 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =       4.939617 [THz] =     164.767900 [cm-1]
+ (  0.236439   0.000000    -0.558591   0.000000     0.795030   0.000000   )
+     freq (    2) =       4.939617 [THz] =     164.767900 [cm-1]
+ ( -0.781513   0.000000    -0.595519   0.000000    -0.185994   0.000000   )
+     freq (    3) =      10.245503 [THz] =     341.753210 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =       4.981246 [THz] =     166.156476 [cm-1]
+ (  0.184454   0.000000    -0.596600   0.000000     0.781054   0.000000   )
+     freq (    2) =       4.981246 [THz] =     166.156476 [cm-1]
+ ( -0.795389   0.000000    -0.557436   0.000000    -0.237953   0.000000   )
+     freq (    3) =      10.346502 [THz] =     345.122152 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =       5.004919 [THz] =     166.946124 [cm-1]
+ ( -0.710570  -0.000000    -0.006978  -0.000000    -0.703592   0.000000   )
+     freq (    2) =       5.004919 [THz] =     166.946124 [cm-1]
+ ( -0.402191  -0.000000    -0.816467  -0.000000     0.414276   0.000000   )
+     freq (    3) =      10.405590 [THz] =     347.093133 [cm-1]
+ ( -0.577350   0.000000     0.577350   0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =       5.012582 [THz] =     167.201747 [cm-1]
+ ( -0.368745  -0.000000    -0.815261  -0.000000     0.446516   0.000000   )
+     freq (    2) =       5.012582 [THz] =     167.201747 [cm-1]
+ ( -0.728488  -0.000000    -0.044902  -0.000000    -0.683586   0.000000   )
+     freq (    3) =      10.425026 [THz] =     347.741422 [cm-1]
+ ( -0.577350  -0.000000     0.577350  -0.000000     0.577350   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5000      0.4750
+ **************************************************************************
+     freq (    1) =       5.026928 [THz] =     167.680281 [cm-1]
+ (  0.408246   0.000000     0.816499   0.000000    -0.408246   0.000000   )
+     freq (    2) =       5.051435 [THz] =     168.497731 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.426605 [THz] =     347.794123 [cm-1]
+ ( -0.577352   0.000000     0.577347   0.000000     0.577352   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5000      0.4500
+ **************************************************************************
+     freq (    1) =       5.069352 [THz] =     169.095368 [cm-1]
+ ( -0.408215   0.000000    -0.816530   0.000000     0.408215   0.000000   )
+     freq (    2) =       5.165268 [THz] =     172.294800 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.430927 [THz] =     347.938271 [cm-1]
+ ( -0.577374   0.000000     0.577303   0.000000     0.577374   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5000      0.4250
+ **************************************************************************
+     freq (    1) =       5.138097 [THz] =     171.388477 [cm-1]
+ ( -0.408083  -0.000000    -0.816662  -0.000000     0.408083   0.000000   )
+     freq (    2) =       5.346508 [THz] =     178.340321 [cm-1]
+ ( -0.707107  -0.000000     0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.436770 [THz] =     348.133161 [cm-1]
+ ( -0.577467  -0.000000     0.577116  -0.000000     0.577467   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.5000      0.4000
+ **************************************************************************
+     freq (    1) =       5.230519 [THz] =     174.471318 [cm-1]
+ ( -0.407735   0.000000    -0.817009   0.000000     0.407735   0.000000   )
+     freq (    2) =       5.584236 [THz] =     186.270059 [cm-1]
+ ( -0.707107   0.000000    -0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.442212 [THz] =     348.314694 [cm-1]
+ ( -0.577713   0.000000     0.576624   0.000000     0.577713   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.5000      0.3750
+ **************************************************************************
+     freq (    1) =       5.343418 [THz] =     178.237246 [cm-1]
+ (  0.407016   0.000000     0.817726   0.000000    -0.407016   0.000000   )
+     freq (    2) =       5.865943 [THz] =     195.666786 [cm-1]
+ ( -0.707107   0.000000    -0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.444789 [THz] =     348.400643 [cm-1]
+ ( -0.578220   0.000000     0.575607   0.000000     0.578220   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.5000      0.3500
+ **************************************************************************
+     freq (    1) =       5.473409 [THz] =     182.573264 [cm-1]
+ (  0.405734   0.000000     0.818999   0.000000    -0.405734   0.000000   )
+     freq (    2) =       6.178989 [THz] =     206.108888 [cm-1]
+ ( -0.707107   0.000000    -0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.441692 [THz] =     348.297367 [cm-1]
+ ( -0.579120   0.000000     0.573795   0.000000     0.579120   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.5000      0.3250
+ **************************************************************************
+     freq (    1) =       5.617224 [THz] =     187.370409 [cm-1]
+ (  0.403666   0.000000     0.821041   0.000000    -0.403666   0.000000   )
+     freq (    2) =       6.511537 [THz] =     217.201488 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.430003 [THz] =     347.907442 [cm-1]
+ ( -0.580564   0.000000     0.570869   0.000000     0.580564   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.5000      0.3000
+ **************************************************************************
+     freq (    1) =       5.771937 [THz] =     192.531086 [cm-1]
+ ( -0.400549  -0.000000    -0.824088  -0.000000     0.400549   0.000000   )
+     freq (    2) =       6.853002 [THz] =     228.591554 [cm-1]
+ ( -0.707107  -0.000000     0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.406924 [THz] =     347.137633 [cm-1]
+ ( -0.582718  -0.000000     0.566461   0.000000     0.582718   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.5000      0.2750
+ **************************************************************************
+     freq (    1) =       5.935074 [THz] =     197.972751 [cm-1]
+ (  0.396077   0.000000     0.828399   0.000000    -0.396077   0.000000   )
+     freq (    2) =       7.194183 [THz] =     239.972107 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.370023 [THz] =     345.906729 [cm-1]
+ ( -0.585767   0.000000     0.560138   0.000000     0.585767   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.5000      0.2500
+ **************************************************************************
+     freq (    1) =       6.104611 [THz] =     203.627913 [cm-1]
+ (  0.389882   0.000000     0.834257   0.000000    -0.389882   0.000000   )
+     freq (    2) =       7.527203 [THz] =     251.080451 [cm-1]
+ ( -0.707107   0.000000    -0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.317444 [THz] =     344.152871 [cm-1]
+ ( -0.589909   0.000000     0.551376   0.000000     0.589909   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.5000      0.2250
+ **************************************************************************
+     freq (    1) =       6.278876 [THz] =     209.440756 [cm-1]
+ (  0.381499   0.000000     0.841972   0.000000    -0.381499   0.000000   )
+     freq (    2) =       7.845384 [THz] =     261.693845 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.248112 [THz] =     341.840217 [cm-1]
+ ( -0.595364   0.000000     0.539521   0.000000     0.595364   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.5000      0.2000
+ **************************************************************************
+     freq (    1) =       6.456350 [THz] =     215.360661 [cm-1]
+ (  0.370319   0.000000     0.851897   0.000000    -0.370319   0.000000   )
+     freq (    2) =       8.143099 [THz] =     271.624538 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.161918 [THz] =     338.965099 [cm-1]
+ ( -0.602382   0.000000     0.523710   0.000000     0.602382   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.5000      0.1750
+ **************************************************************************
+     freq (    1) =       6.635389 [THz] =     221.332738 [cm-1]
+ (  0.355511   0.000000     0.864421   0.000000    -0.355511   0.000000   )
+     freq (    2) =       8.415627 [THz] =     280.715115 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      10.059900 [THz] =     335.562154 [cm-1]
+ ( -0.611238   0.000000     0.502768   0.000000     0.611238   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.5000      0.1500
+ **************************************************************************
+     freq (    1) =       6.813834 [THz] =     227.285038 [cm-1]
+ (  0.335905   0.000000     0.879963   0.000000    -0.335905   0.000000   )
+     freq (    2) =       8.659040 [THz] =     288.834488 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.944460 [THz] =     331.711484 [cm-1]
+ ( -0.622228   0.000000     0.475041   0.000000     0.622228   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.5000      0.1250
+ **************************************************************************
+     freq (    1) =       6.988508 [THz] =     233.111524 [cm-1]
+ (  0.309834  -0.000000     0.898892  -0.000000    -0.309834   0.000000   )
+     freq (    2) =       8.870098 [THz] =     295.874615 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.819657 [THz] =     327.548514 [cm-1]
+ ( -0.635612   0.000000     0.438171   0.000000     0.635612   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.5000      0.1000
+ **************************************************************************
+     freq (    1) =       7.154531 [THz] =     238.649460 [cm-1]
+ (  0.274956  -0.000000     0.921302  -0.000000    -0.274956   0.000000   )
+     freq (    2) =       9.046174 [THz] =     301.747887 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.691650 [THz] =     323.278655 [cm-1]
+ ( -0.651459   0.000000     0.388847   0.000000     0.651459   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.5000      0.0750
+ **************************************************************************
+     freq (    1) =       7.304481 [THz] =     243.651244 [cm-1]
+ (  0.228230  -0.000000     0.946479  -0.000000    -0.228230   0.000000   )
+     freq (    2) =       9.185194 [THz] =     306.385093 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.569300 [THz] =     319.197487 [cm-1]
+ ( -0.669262   0.000000     0.322766   0.000000     0.669262   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.5000      0.0500
+ **************************************************************************
+     freq (    1) =       7.427645 [THz] =     247.759567 [cm-1]
+ (  0.166531  -0.000000     0.971872  -0.000000    -0.166531   0.000000   )
+     freq (    2) =       9.285588 [THz] =     309.733871 [cm-1]
+ ( -0.707107   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.464694 [THz] =     315.708213 [cm-1]
+ ( -0.687217   0.000000     0.235511   0.000000     0.687217   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.5000      0.0250
+ **************************************************************************
+     freq (    1) =       7.510430 [THz] =     250.520976 [cm-1]
+ (  0.088864  -0.000000     0.992072  -0.000000    -0.088864   0.000000   )
+     freq (    2) =       9.346257 [THz] =     311.757584 [cm-1]
+ ( -0.707107   0.000000    -0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =       9.392553 [THz] =     313.301839 [cm-1]
+ ( -0.701501   0.000000     0.125672   0.000000     0.701501   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.0000
+ **************************************************************************
+     freq (    1) =       7.539894 [THz] =     251.503780 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       9.366552 [THz] =     312.434549 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    3) =       9.366552 [THz] =     312.434549 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.0000
+ **************************************************************************
+     freq (    1) =       7.537192 [THz] =     251.413665 [cm-1]
+ (  0.000000   0.000000    -1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       9.205382 [THz] =     307.058500 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       9.527852 [THz] =     317.814947 [cm-1]
+ ( -1.000000  -0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.0000
+ **************************************************************************
+     freq (    1) =       7.529080 [THz] =     251.143064 [cm-1]
+ (  0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       9.044740 [THz] =     301.700038 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       9.688737 [THz] =     323.181486 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.0000
+ **************************************************************************
+     freq (    1) =       7.515540 [THz] =     250.691442 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       8.884894 [THz] =     296.368162 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =       9.848506 [THz] =     328.510796 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.0000
+ **************************************************************************
+     freq (    1) =       7.496569 [THz] =     250.058620 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       8.726026 [THz] =     291.068910 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.006313 [THz] =     333.774672 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.0000
+ **************************************************************************
+     freq (    1) =       7.472200 [THz] =     249.245779 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       8.568281 [THz] =     285.807097 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.161190 [THz] =     338.940822 [cm-1]
+ (  1.000000   0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.0000
+ **************************************************************************
+     freq (    1) =       7.442549 [THz] =     248.256709 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       8.411829 [THz] =     280.588424 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.312079 [THz] =     343.973942 [cm-1]
+ ( -1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.0000
+ **************************************************************************
+     freq (    1) =       7.407847 [THz] =     247.099174 [cm-1]
+ (  0.000000   0.000000    -1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       8.256937 [THz] =     275.421780 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.457870 [THz] =     348.836985 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.0000
+ **************************************************************************
+     freq (    1) =       7.368486 [THz] =     245.786240 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       8.104036 [THz] =     270.321560 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.597438 [THz] =     353.492494 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.0000
+ **************************************************************************
+     freq (    1) =       7.325051 [THz] =     244.337411 [cm-1]
+ (  0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       7.953787 [THz] =     265.309783 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.729689 [THz] =     357.903887 [cm-1]
+ (  1.000000   0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.0000
+ **************************************************************************
+     freq (    1) =       7.278344 [THz] =     242.779419 [cm-1]
+ ( -0.000000  -0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       7.807129 [THz] =     260.417799 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.853584 [THz] =     362.036599 [cm-1]
+ (  1.000000   0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.0000
+ **************************************************************************
+     freq (    1) =       7.229391 [THz] =     241.146521 [cm-1]
+ ( -0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       7.665314 [THz] =     255.687361 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      10.968177 [THz] =     365.858994 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.0000
+ **************************************************************************
+     freq (    1) =       7.179436 [THz] =     239.480206 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       7.529913 [THz] =     251.170869 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.072625 [THz] =     369.343022 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.0000
+ **************************************************************************
+     freq (    1) =       7.129911 [THz] =     237.828224 [cm-1]
+ (  0.000000   0.000000    -1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       7.402794 [THz] =     246.930632 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.166207 [THz] =     372.464588 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.0000
+ **************************************************************************
+     freq (    1) =       7.082385 [THz] =     236.242936 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       7.286066 [THz] =     243.037010 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.248323 [THz] =     375.203659 [cm-1]
+ (  1.000000  -0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.0000
+ **************************************************************************
+     freq (    1) =       7.038498 [THz] =     234.779008 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       7.181991 [THz] =     239.565447 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.318488 [THz] =     377.544136 [cm-1]
+ (  1.000000   0.000000    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.0000
+ **************************************************************************
+     freq (    1) =       6.999871 [THz] =     233.490578 [cm-1]
+ (  0.000000  -0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       7.092863 [THz] =     236.592459 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.376330 [THz] =     379.473539 [cm-1]
+ ( -1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0000
+ **************************************************************************
+     freq (    1) =       6.968019 [THz] =     232.428090 [cm-1]
+ ( -0.000000   0.000000    -1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       7.020865 [THz] =     234.190836 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.421570 [THz] =     380.982581 [cm-1]
+ (  1.000000   0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0000
+ **************************************************************************
+     freq (    1) =       6.944244 [THz] =     231.635055 [cm-1]
+ (  0.000000   0.000000     1.000000   0.000000     0.000000   0.000000   )
+     freq (    2) =       6.967910 [THz] =     232.424467 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.454011 [THz] =     382.064694 [cm-1]
+ (  1.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0000
+ **************************************************************************
+     freq (    1) =       6.929554 [THz] =     231.145055 [cm-1]
+ (  0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       6.935499 [THz] =     231.343332 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.473524 [THz] =     382.715570 [cm-1]
+ (  1.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       6.924585 [THz] =     230.979303 [cm-1]
+ ( -0.000000   0.000000     1.000000  -0.000000     0.000000   0.000000   )
+     freq (    2) =       6.924585 [THz] =     230.979303 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     1.000000   0.000000   )
+     freq (    3) =      11.480036 [THz] =     382.932788 [cm-1]
+ (  1.000000   0.000000     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
diff --git a/user_static/data/aluminum/matdyn.out b/user_static/data/aluminum/matdyn.out
new file mode 100644
index 0000000..fa28ec4
--- /dev/null
+++ b/user_static/data/aluminum/matdyn.out
@@ -0,0 +1,36 @@
+
+     Program MATDYN v.7.1 starts on  4Jun2024 at  7:50:28 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     237599 MiB available memory on the printing compute node when the environment starts
+
+ mass for atomic type   1 not given; uses mass from file fc                                                                                                                                                                                                                                                              
+Norm of the difference between old and new effective charges:    0.00000000000000000000
+Norm of the difference between old and new force-constants:   0.00000967133869675798
+     Message from routine matdyn:
+     Z* not found in file fc, TO-LO splitting at q=0 will be absent!
+     Message from routine matdyn:
+     Z* not found in file fc, TO-LO splitting at q=0 will be absent!
+
+     MATDYN       :      0.02s CPU      0.02s WALL
+
+
+   This run was terminated on:   7:50:28   4Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/aluminum/ph.in b/user_static/data/aluminum/ph.in
new file mode 100644
index 0000000..7a2a1c9
--- /dev/null
+++ b/user_static/data/aluminum/ph.in
@@ -0,0 +1,11 @@
+al
+&inputph
+  outdir='./tmp'
+  prefix='al'
+  fildyn='dyn',
+  tr2_ph=1d-16,
+  ldisp=.true.
+  nq1=4
+  nq2=4
+  nq3=4
+/
diff --git a/user_static/data/aluminum/ph.out b/user_static/data/aluminum/ph.out
new file mode 100644
index 0000000..b787ab8
--- /dev/null
+++ b/user_static/data/aluminum/ph.out
@@ -0,0 +1,2275 @@
+
+     Program PHONON v.7.1 starts on  3Jun2024 at 15:31:10 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     243584 MiB available memory on the printing compute node when the environment starts
+
+     Reading input from ph.in
+
+     Reading xml data from directory:
+
+     ./tmp/al.save/
+
+     IMPORTANT: XC functional enforced from input :
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+     Any further DFT definition will be discarded
+     Please, verify this is what you really want
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     20                 3262      817     156
+     Max         160      64     21                 3266      819     160
+     Sum         955     379    121                19579     4909     941
+
+     Using Slab Decomposition
+
+     Reading collected, re-writing distributed wavefunctions
+
+
+     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
+     (   8 q-points):
+       N         xq(1)         xq(2)         xq(3) 
+       1   0.000000000   0.000000000   0.000000000
+       2  -0.250000000   0.250000000  -0.250000000
+       3   0.500000000  -0.500000000   0.500000000
+       4   0.000000000   0.500000000   0.000000000
+       5   0.750000000  -0.250000000   0.750000000
+       6   0.500000000   0.000000000   0.500000000
+       7   0.000000000  -1.000000000   0.000000000
+       8  -0.500000000  -1.000000000   0.000000000
+
+     Calculation of q =    0.0000000   0.0000000   0.0000000
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.0000000   0.0000000 )
+
+     49 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    819 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=    72  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, O_h (m-3m)  point group:
+
+
+     Atomic displacements:
+     There are    1 irreducible representations
+
+     Representation     1      3 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      0.20s CPU      0.21s WALL
+
+
+
+     Representation #   1 modes #   1   2   3
+
+     Self-consistent Calculation
+
+     Pert. #  1: Fermi energy shift (Ry) =     4.4116E-24     3.1347E-38
+     Pert. #  2: Fermi energy shift (Ry) =    -1.1029E-24     2.0375E-37
+     Pert. #  3: Fermi energy shift (Ry) =    -2.7573E-24     7.8366E-38
+
+      iter #   1 total cpu time :     1.6 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.193E-06
+
+     Pert. #  1: Fermi energy shift (Ry) =     2.7573E-25    -7.3468E-40
+     Pert. #  2: Fermi energy shift (Ry) =    -7.6687E-25     1.4081E-39
+     Pert. #  3: Fermi energy shift (Ry) =     1.5510E-25    -5.5101E-40
+
+      iter #   2 total cpu time :     3.1 secs   av.it.:   9.8
+      thresh= 1.787E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.946E-08
+
+     Pert. #  1: Fermi energy shift (Ry) =     1.7664E-25    -1.2245E-40
+     Pert. #  2: Fermi energy shift (Ry) =     3.4197E-26    -7.9591E-40
+     Pert. #  3: Fermi energy shift (Ry) =     3.4627E-25    -3.0612E-40
+
+      iter #   3 total cpu time :     4.4 secs   av.it.:   8.9
+      thresh= 1.395E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.881E-09
+
+     Pert. #  1: Fermi energy shift (Ry) =    -2.7573E-25    -3.0612E-41
+     Pert. #  2: Fermi energy shift (Ry) =    -5.2237E-26    -1.9898E-40
+     Pert. #  3: Fermi energy shift (Ry) =    -7.0009E-26    -7.6530E-41
+
+      iter #   4 total cpu time :     5.7 secs   av.it.:   8.7
+      thresh= 4.338E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.988E-12
+
+     Pert. #  1: Fermi energy shift (Ry) =     2.1541E-26    -3.8265E-42
+     Pert. #  2: Fermi energy shift (Ry) =    -8.5088E-26     5.9789E-42
+     Pert. #  3: Fermi energy shift (Ry) =     4.3621E-26     7.1746E-42
+
+      iter #   5 total cpu time :     7.1 secs   av.it.:   9.4
+      thresh= 1.410E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.737E-15
+
+     Pert. #  1: Fermi energy shift (Ry) =    -6.2469E-26    -1.9132E-42
+     Pert. #  2: Fermi energy shift (Ry) =     1.3167E-25    -2.8699E-42
+     Pert. #  3: Fermi energy shift (Ry) =    -1.0232E-26    -4.5439E-42
+
+      iter #   6 total cpu time :     8.3 secs   av.it.:   7.9
+      thresh= 6.883E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.718E-16
+
+     Pert. #  1: Fermi energy shift (Ry) =    -2.1541E-26    -1.9132E-42
+     Pert. #  2: Fermi energy shift (Ry) =     3.5004E-27    -2.8699E-42
+     Pert. #  3: Fermi energy shift (Ry) =     9.2088E-26    -4.5439E-42
+
+      iter #   7 total cpu time :     9.8 secs   av.it.:   8.9
+      thresh= 1.311E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.921E-20
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    1
+     List of q in the star:
+          1   0.000000000   0.000000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       0.140205 [THz] =       4.676729 [cm-1]
+     freq (    2) =       0.140205 [THz] =       4.676729 [cm-1]
+     freq (    3) =       0.140205 [THz] =       4.676729 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, O_h (m-3m)  point group:
+
+     freq (   1-   3) =          4.7  [cm-1]   --> T_1u G_15  G_4- I  
+
+     Calculation of q =   -0.2500000   0.2500000  -0.2500000
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     23                 3262      817     177
+     Max         160      64     24                 3266      819     179
+     Sum         955     379    139                19579     4909    1067
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=   728  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.98 MB
+
+     Estimated total dynamical RAM >      11.86 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 16.0
+
+     total cpu time spent up to now is       13.0 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.2500000   0.2500000  -0.2500000 )
+
+      6 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=   728  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, C_3v (3m)   point group:
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :     22.06s CPU     23.06s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    25.2 secs   av.it.:   7.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.686E-02
+
+      iter #   2 total cpu time :    27.0 secs   av.it.:   7.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.894E-01
+
+      iter #   3 total cpu time :    28.9 secs   av.it.:   7.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.314E-06
+
+      iter #   4 total cpu time :    30.9 secs   av.it.:   8.4
+      thresh= 1.521E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.697E-08
+
+      iter #   5 total cpu time :    33.2 secs   av.it.:   8.8
+      thresh= 1.642E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.742E-09
+
+      iter #   6 total cpu time :    35.5 secs   av.it.:   8.1
+      thresh= 4.174E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.564E-10
+
+      iter #   7 total cpu time :    37.8 secs   av.it.:   6.7
+      thresh= 2.359E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.023E-09
+
+      iter #   8 total cpu time :    39.9 secs   av.it.:   6.6
+      thresh= 3.198E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.401E-11
+
+      iter #   9 total cpu time :    41.7 secs   av.it.:   6.1
+      thresh= 5.832E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.297E-12
+
+      iter #  10 total cpu time :    43.9 secs   av.it.:   7.1
+      thresh= 1.516E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.770E-15
+
+      iter #  11 total cpu time :    46.6 secs   av.it.:   8.3
+      thresh= 5.264E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.984E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    50.7 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.721E-06
+
+      iter #   2 total cpu time :    55.1 secs   av.it.:   9.6
+      thresh= 2.779E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.883E-08
+
+      iter #   3 total cpu time :    59.2 secs   av.it.:   8.8
+      thresh= 2.426E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.378E-09
+
+      iter #   4 total cpu time :    63.1 secs   av.it.:   8.5
+      thresh= 6.616E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.573E-11
+
+      iter #   5 total cpu time :    67.3 secs   av.it.:   9.1
+      thresh= 3.967E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.961E-14
+
+      iter #   6 total cpu time :    71.4 secs   av.it.:   9.1
+      thresh= 2.638E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.306E-16
+
+      iter #   7 total cpu time :    75.2 secs   av.it.:   8.2
+      thresh= 2.075E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.722E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    8
+     List of q in the star:
+          1  -0.250000000   0.250000000  -0.250000000
+          2   0.250000000  -0.250000000  -0.250000000
+          3   0.250000000  -0.250000000   0.250000000
+          4   0.250000000   0.250000000   0.250000000
+          5  -0.250000000  -0.250000000  -0.250000000
+          6  -0.250000000  -0.250000000   0.250000000
+          7  -0.250000000   0.250000000   0.250000000
+          8   0.250000000   0.250000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.250000000   0.250000000  -0.250000000 ) 
+
+ **************************************************************************
+     freq (    1) =       3.886141 [THz] =     129.627726 [cm-1]
+     freq (    2) =       3.886141 [THz] =     129.627726 [cm-1]
+     freq (    3) =       8.030653 [THz] =     267.873749 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_3v (3m)   point group:
+
+     freq (   1-   2) =        129.6  [cm-1]   --> E    L_3           
+     freq (   3-   3) =        267.9  [cm-1]   --> A_1  L_1           
+
+     Calculation of q =    0.5000000  -0.5000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     25                 3262      817     206
+     Max         160      64     26                 3266      819     209
+     Sum         955     379    151                19579     4909    1243
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=   378  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.99 MB
+
+     Estimated total dynamical RAM >      11.92 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.9
+
+     total cpu time spent up to now is       19.8 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000  -0.5000000   0.5000000 )
+
+     13 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=   378  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, D_3d (-3m)  point group:
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   1m17.43s CPU   1m22.12s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    83.1 secs   av.it.:   7.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.430E-04
+
+      iter #   2 total cpu time :    84.1 secs   av.it.:   8.5
+      thresh= 2.536E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.226E-04
+
+      iter #   3 total cpu time :    85.1 secs   av.it.:   7.5
+      thresh= 3.037E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.345E-07
+
+      iter #   4 total cpu time :    86.1 secs   av.it.:   8.1
+      thresh= 4.842E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.712E-09
+
+      iter #   5 total cpu time :    87.1 secs   av.it.:   7.6
+      thresh= 4.137E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.437E-11
+
+      iter #   6 total cpu time :    88.1 secs   av.it.:   8.0
+      thresh= 3.791E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.916E-14
+
+      iter #   7 total cpu time :    89.2 secs   av.it.:   8.6
+      thresh= 2.217E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.146E-16
+
+      iter #   8 total cpu time :    90.3 secs   av.it.:   8.0
+      thresh= 2.269E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.509E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    92.2 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.205E-06
+
+      iter #   2 total cpu time :    94.4 secs   av.it.:   9.3
+      thresh= 2.864E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.908E-08
+
+      iter #   3 total cpu time :    96.5 secs   av.it.:   8.6
+      thresh= 2.628E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.402E-09
+
+      iter #   4 total cpu time :    98.5 secs   av.it.:   8.4
+      thresh= 6.635E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.180E-11
+
+      iter #   5 total cpu time :   100.6 secs   av.it.:   8.9
+      thresh= 3.435E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.363E-14
+
+      iter #   6 total cpu time :   102.6 secs   av.it.:   8.2
+      thresh= 1.168E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.244E-16
+
+      iter #   7 total cpu time :   104.6 secs   av.it.:   8.5
+      thresh= 2.499E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.919E-19
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    4
+     List of q in the star:
+          1   0.500000000  -0.500000000   0.500000000
+          2   0.500000000   0.500000000   0.500000000
+          3  -0.500000000   0.500000000   0.500000000
+          4   0.500000000   0.500000000  -0.500000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000  -0.500000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =       5.012583 [THz] =     167.201762 [cm-1]
+     freq (    2) =       5.012583 [THz] =     167.201762 [cm-1]
+     freq (    3) =      10.425025 [THz] =     347.741419 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_3d (-3m)  point group:
+
+     freq (   1-   2) =        167.2  [cm-1]   --> E_u  L_3'          
+     freq (   3-   3) =        347.7  [cm-1]   --> A_2u L_2'          
+
+     Calculation of q =    0.0000000   0.5000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     23                 3262      817     177
+     Max         160      64     24                 3266      819     179
+     Sum         955     379    139                19579     4909    1067
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=   588  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.98 MB
+
+     Estimated total dynamical RAM >      11.87 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.8
+
+     total cpu time spent up to now is       29.9 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.5000000   0.0000000 )
+
+      8 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=   588  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, C_4v (4mm)  point group:
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   1m48.36s CPU   1m54.97s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   116.5 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.099E-03
+
+      iter #   2 total cpu time :   118.0 secs   av.it.:   7.5
+      thresh= 9.000E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.713E-01
+
+      iter #   3 total cpu time :   119.6 secs   av.it.:   7.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.898E-06
+
+      iter #   4 total cpu time :   121.4 secs   av.it.:   8.2
+      thresh= 1.378E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.244E-08
+
+      iter #   5 total cpu time :   122.9 secs   av.it.:   8.1
+      thresh= 1.115E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.314E-10
+
+      iter #   6 total cpu time :   124.5 secs   av.it.:   8.1
+      thresh= 2.705E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.629E-12
+
+      iter #   7 total cpu time :   126.0 secs   av.it.:   8.5
+      thresh= 2.373E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.356E-11
+
+      iter #   8 total cpu time :   127.3 secs   av.it.:   6.1
+      thresh= 7.318E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.363E-14
+
+      iter #   9 total cpu time :   128.9 secs   av.it.:   8.3
+      thresh= 1.834E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.063E-15
+
+      iter #  10 total cpu time :   130.5 secs   av.it.:   8.1
+      thresh= 3.261E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.623E-15
+
+      iter #  11 total cpu time :   131.8 secs   av.it.:   6.0
+      thresh= 8.731E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.293E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   134.7 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.511E-06
+
+      iter #   2 total cpu time :   138.2 secs   av.it.:   9.4
+      thresh= 3.084E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.670E-07
+
+      iter #   3 total cpu time :   141.6 secs   av.it.:   8.8
+      thresh= 4.086E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.278E-09
+
+      iter #   4 total cpu time :   144.9 secs   av.it.:   8.6
+      thresh= 7.265E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.122E-11
+
+      iter #   5 total cpu time :   148.1 secs   av.it.:   8.9
+      thresh= 8.439E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.034E-14
+
+      iter #   6 total cpu time :   151.5 secs   av.it.:   8.9
+      thresh= 2.244E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.992E-16
+
+      iter #   7 total cpu time :   154.8 secs   av.it.:   8.4
+      thresh= 3.161E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.096E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.000000000   0.500000000   0.000000000
+          2   0.000000000  -0.500000000   0.000000000
+          3   0.500000000   0.000000000   0.000000000
+          4   0.000000000   0.000000000   0.500000000
+          5   0.000000000   0.000000000  -0.500000000
+          6  -0.500000000   0.000000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.500000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       4.930745 [THz] =     164.471958 [cm-1]
+     freq (    2) =       4.930745 [THz] =     164.471958 [cm-1]
+     freq (    3) =       7.883111 [THz] =     262.952278 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_4v (4mm)  point group:
+
+     freq (   1-   2) =        164.5  [cm-1]   --> E    G_5 D_5       
+     freq (   3-   3) =        263.0  [cm-1]   --> A_1  G_1 D_1       
+
+     Calculation of q =    0.7500000  -0.2500000   0.7500000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      62     26                 3262      817     215
+     Max         160      64     28                 3266      819     216
+     Sum         955     379    163                19579     4909    1291
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=  1872  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.99 MB
+
+     Estimated total dynamical RAM >      11.95 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.9
+
+     total cpu time spent up to now is       63.7 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.7500000  -0.2500000   0.7500000 )
+
+      2 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=  1872  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, C_s (m)     point group:
+
+
+     Atomic displacements:
+     There are    3 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   2m58.56s CPU   3m 9.16s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   194.4 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.057E-04
+
+      iter #   2 total cpu time :   199.7 secs   av.it.:   8.7
+      thresh= 2.014E-03 alpha_mix =  0.700 |ddv_scf|^2 =  5.448E-04
+
+      iter #   3 total cpu time :   204.4 secs   av.it.:   7.6
+      thresh= 2.334E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.471E-06
+
+      iter #   4 total cpu time :   209.5 secs   av.it.:   8.3
+      thresh= 1.572E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.065E-08
+
+      iter #   5 total cpu time :   214.7 secs   av.it.:   8.4
+      thresh= 2.251E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.983E-10
+
+      iter #   6 total cpu time :   219.8 secs   av.it.:   8.5
+      thresh= 3.160E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.960E-11
+
+      iter #   7 total cpu time :   224.9 secs   av.it.:   8.3
+      thresh= 7.043E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.289E-12
+
+      iter #   8 total cpu time :   230.2 secs   av.it.:   8.6
+      thresh= 1.135E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.819E-14
+
+      iter #   9 total cpu time :   235.5 secs   av.it.:   8.5
+      thresh= 1.349E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.718E-15
+
+      iter #  10 total cpu time :   240.6 secs   av.it.:   8.2
+      thresh= 5.213E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.963E-16
+
+      iter #  11 total cpu time :   245.5 secs   av.it.:   8.1
+      thresh= 2.442E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.373E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   250.6 secs   av.it.:   7.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.096E-04
+
+      iter #   2 total cpu time :   255.9 secs   av.it.:   8.9
+      thresh= 1.047E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.353E-05
+
+      iter #   3 total cpu time :   260.8 secs   av.it.:   7.9
+      thresh= 9.139E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.441E-06
+
+      iter #   4 total cpu time :   265.7 secs   av.it.:   8.1
+      thresh= 1.855E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.346E-08
+
+      iter #   5 total cpu time :   270.9 secs   av.it.:   8.5
+      thresh= 2.312E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.487E-09
+
+      iter #   6 total cpu time :   276.4 secs   av.it.:   8.4
+      thresh= 5.905E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.698E-11
+
+      iter #   7 total cpu time :   281.5 secs   av.it.:   8.3
+      thresh= 9.848E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.217E-13
+
+      iter #   8 total cpu time :   286.9 secs   av.it.:   8.6
+      thresh= 8.495E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.119E-14
+
+      iter #   9 total cpu time :   292.2 secs   av.it.:   8.5
+      thresh= 2.849E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.349E-14
+
+      iter #  10 total cpu time :   297.1 secs   av.it.:   8.0
+      thresh= 1.533E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.698E-16
+
+      iter #  11 total cpu time :   302.5 secs   av.it.:   8.5
+      thresh= 2.168E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.160E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   307.7 secs   av.it.:   7.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.113E-05
+
+      iter #   2 total cpu time :   313.1 secs   av.it.:   8.8
+      thresh= 6.413E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.115E-07
+
+      iter #   3 total cpu time :   318.2 secs   av.it.:   8.4
+      thresh= 9.547E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.239E-08
+
+      iter #   4 total cpu time :   323.1 secs   av.it.:   8.1
+      thresh= 1.496E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.756E-10
+
+      iter #   5 total cpu time :   328.0 secs   av.it.:   8.3
+      thresh= 1.660E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.402E-13
+
+      iter #   6 total cpu time :   333.1 secs   av.it.:   8.5
+      thresh= 5.833E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.001E-15
+
+      iter #   7 total cpu time :   338.0 secs   av.it.:   8.0
+      thresh= 6.326E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.162E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   24
+     List of q in the star:
+          1   0.750000000  -0.250000000   0.750000000
+          2   0.750000000  -0.250000000  -0.750000000
+          3  -0.750000000  -0.250000000  -0.750000000
+          4  -0.750000000  -0.250000000   0.750000000
+          5  -0.750000000   0.250000000  -0.750000000
+          6  -0.250000000   0.750000000  -0.750000000
+          7  -0.750000000   0.750000000  -0.250000000
+          8   0.750000000   0.250000000   0.750000000
+          9  -0.750000000   0.250000000   0.750000000
+         10   0.750000000   0.250000000  -0.750000000
+         11  -0.750000000   0.750000000   0.250000000
+         12  -0.250000000   0.750000000   0.750000000
+         13   0.250000000   0.750000000  -0.750000000
+         14  -0.250000000  -0.750000000  -0.750000000
+         15   0.750000000   0.750000000  -0.250000000
+         16   0.750000000  -0.750000000   0.250000000
+         17  -0.750000000  -0.750000000  -0.250000000
+         18   0.250000000  -0.750000000   0.750000000
+         19  -0.750000000  -0.750000000   0.250000000
+         20   0.250000000   0.750000000   0.750000000
+         21  -0.250000000  -0.750000000   0.750000000
+         22   0.750000000   0.750000000   0.250000000
+         23   0.250000000  -0.750000000  -0.750000000
+         24   0.750000000  -0.750000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.750000000  -0.250000000   0.750000000 ) 
+
+ **************************************************************************
+     freq (    1) =       6.156606 [THz] =     205.362267 [cm-1]
+     freq (    2) =       7.690814 [THz] =     256.537925 [cm-1]
+     freq (    3) =      10.266591 [THz] =     342.456622 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_s (m)     point group:
+
+     freq (   1-   1) =        205.4  [cm-1]   --> A''                
+     freq (   2-   2) =        256.5  [cm-1]   --> A'                 
+     freq (   3-   3) =        342.5  [cm-1]   --> A'                 
+
+     Calculation of q =    0.5000000   0.0000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     25                 3262      817     201
+     Max         160      64     26                 3266      819     204
+     Sum         955     379    151                19579     4909    1211
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=  1020  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.98 MB
+
+     Estimated total dynamical RAM >      11.90 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.8
+
+     total cpu time spent up to now is       81.6 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000   0.0000000   0.5000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    819 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=  1020  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are    3 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   5m35.03s CPU   5m56.17s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   359.0 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.012E-03
+
+      iter #   2 total cpu time :   361.7 secs   av.it.:   8.1
+      thresh= 3.182E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.733E-03
+
+      iter #   3 total cpu time :   364.1 secs   av.it.:   6.9
+      thresh= 6.110E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.509E-06
+
+      iter #   4 total cpu time :   366.9 secs   av.it.:   8.5
+      thresh= 1.228E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.175E-08
+
+      iter #   5 total cpu time :   369.6 secs   av.it.:   8.2
+      thresh= 1.782E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.293E-10
+
+      iter #   6 total cpu time :   372.3 secs   av.it.:   8.2
+      thresh= 2.509E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.785E-12
+
+      iter #   7 total cpu time :   375.0 secs   av.it.:   8.6
+      thresh= 1.946E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.425E-14
+
+      iter #   8 total cpu time :   377.9 secs   av.it.:   8.9
+      thresh= 2.535E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.181E-14
+
+      iter #   9 total cpu time :   380.3 secs   av.it.:   7.3
+      thresh= 2.045E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.802E-15
+
+      iter #  10 total cpu time :   382.8 secs   av.it.:   7.7
+      thresh= 7.617E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.758E-16
+
+      iter #  11 total cpu time :   385.3 secs   av.it.:   7.5
+      thresh= 2.600E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.614E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   387.9 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.351E-05
+
+      iter #   2 total cpu time :   390.8 secs   av.it.:   8.7
+      thresh= 5.789E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.600E-07
+
+      iter #   3 total cpu time :   393.4 secs   av.it.:   8.4
+      thresh= 6.000E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.858E-08
+
+      iter #   4 total cpu time :   396.3 secs   av.it.:   7.9
+      thresh= 1.363E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.563E-10
+
+      iter #   5 total cpu time :   399.1 secs   av.it.:   8.3
+      thresh= 1.250E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.243E-13
+
+      iter #   6 total cpu time :   401.9 secs   av.it.:   8.5
+      thresh= 4.736E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.590E-15
+
+      iter #   7 total cpu time :   404.3 secs   av.it.:   7.4
+      thresh= 3.988E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.371E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   407.0 secs   av.it.:   7.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.477E-05
+
+      iter #   2 total cpu time :   409.8 secs   av.it.:   8.7
+      thresh= 8.647E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.000E-05
+
+      iter #   3 total cpu time :   412.5 secs   av.it.:   8.0
+      thresh= 3.162E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.427E-08
+
+      iter #   4 total cpu time :   415.2 secs   av.it.:   8.4
+      thresh= 1.851E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.422E-09
+
+      iter #   5 total cpu time :   417.9 secs   av.it.:   7.8
+      thresh= 3.772E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.869E-13
+
+      iter #   6 total cpu time :   420.6 secs   av.it.:   8.5
+      thresh= 9.934E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.481E-14
+
+      iter #   7 total cpu time :   423.3 secs   av.it.:   8.2
+      thresh= 1.217E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.242E-16
+
+      iter #   8 total cpu time :   426.0 secs   av.it.:   8.5
+      thresh= 1.497E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.152E-19
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   12
+     List of q in the star:
+          1   0.500000000   0.000000000   0.500000000
+          2  -0.500000000   0.000000000   0.500000000
+          3  -0.500000000   0.000000000  -0.500000000
+          4   0.500000000   0.000000000  -0.500000000
+          5   0.000000000   0.500000000  -0.500000000
+          6  -0.500000000   0.500000000   0.000000000
+          7   0.000000000   0.500000000   0.500000000
+          8   0.000000000  -0.500000000  -0.500000000
+          9   0.500000000   0.500000000   0.000000000
+         10   0.500000000  -0.500000000   0.000000000
+         11  -0.500000000  -0.500000000   0.000000000
+         12   0.000000000  -0.500000000   0.500000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000   0.000000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =       5.359176 [THz] =     178.762869 [cm-1]
+     freq (    2) =       7.257751 [THz] =     242.092500 [cm-1]
+     freq (    3) =       9.561335 [THz] =     318.931812 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =        178.8  [cm-1]   --> B_1  D_3  S_3      
+     freq (   2-   2) =        242.1  [cm-1]   --> B_2  D_4  S_4      
+     freq (   3-   3) =        318.9  [cm-1]   --> A_1  D_1  S_1      
+
+     Calculation of q =    0.0000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     25                 3262      817     206
+     Max         160      64     26                 3266      819     209
+     Sum         955     379    151                19579     4909    1243
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=   326  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.99 MB
+
+     Estimated total dynamical RAM >      11.94 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.7
+
+     total cpu time spent up to now is       87.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000  -1.0000000   0.0000000 )
+
+     17 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=   326  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, D_4h(4/mmm) point group:
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   6m46.05s CPU   7m11.83s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   432.7 secs   av.it.:   7.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.509E-04
+
+      iter #   2 total cpu time :   433.5 secs   av.it.:   8.3
+      thresh= 1.584E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.164E-04
+
+      iter #   3 total cpu time :   434.4 secs   av.it.:   7.4
+      thresh= 1.079E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.594E-08
+
+      iter #   4 total cpu time :   435.3 secs   av.it.:   8.2
+      thresh= 2.932E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.249E-10
+
+      iter #   5 total cpu time :   436.2 secs   av.it.:   7.5
+      thresh= 3.041E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.338E-12
+
+      iter #   6 total cpu time :   437.0 secs   av.it.:   7.8
+      thresh= 1.157E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.724E-14
+
+      iter #   7 total cpu time :   437.9 secs   av.it.:   8.1
+      thresh= 1.313E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.703E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   439.6 secs   av.it.:   7.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.255E-05
+
+      iter #   2 total cpu time :   441.5 secs   av.it.:   9.4
+      thresh= 3.542E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.732E-07
+
+      iter #   3 total cpu time :   443.4 secs   av.it.:   8.6
+      thresh= 6.879E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.511E-09
+
+      iter #   4 total cpu time :   445.3 secs   av.it.:   8.7
+      thresh= 8.069E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.796E-11
+
+      iter #   5 total cpu time :   447.2 secs   av.it.:   8.7
+      thresh= 8.244E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.069E-14
+
+      iter #   6 total cpu time :   449.0 secs   av.it.:   8.4
+      thresh= 1.752E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.072E-15
+
+      iter #   7 total cpu time :   450.8 secs   av.it.:   8.5
+      thresh= 4.552E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.176E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    3
+     List of q in the star:
+          1   0.000000000  -1.000000000   0.000000000
+          2  -1.000000000   0.000000000   0.000000000
+          3   0.000000000   0.000000000  -1.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       6.924585 [THz] =     230.979299 [cm-1]
+     freq (    2) =       6.924585 [THz] =     230.979299 [cm-1]
+     freq (    3) =      11.480036 [THz] =     382.932788 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_4h(4/mmm) point group:
+
+     freq (   1-   2) =        231.0  [cm-1]   --> E_u  X_5' M_5'     
+     freq (   3-   3) =        382.9  [cm-1]   --> A_2u X_4' M_4'     
+
+     Calculation of q =   -0.5000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     25                 3262      817     206
+     Max         160      64     26                 3266      819     209
+     Sum         955     379    151                19579     4909    1243
+
+     Using Slab Decomposition
+
+
+     Title: 
+     al                                                                         
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=   524  Gaussian smearing, width (Ry)=  0.0100
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       1.99 MB
+
+     Estimated total dynamical RAM >      11.95 MB
+
+     The potential is recalculated from file :
+     ./tmp/_ph0/al.save/charge-density
+
+     Starting wfcs are    0 atomic +   10 random wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  9.09E-11,  avg # of iterations = 15.7
+
+     total cpu time spent up to now is       96.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     the Fermi energy is    11.9829 ev
+
+     Writing config to output data dir ./tmp/_ph0/al.save/
+
+     al                                                                         
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      50.0000  Ry
+     charge density cut-off    =     500.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    7.43052  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     Al  26.9815   tau(    1) = (    0.00000    0.00000    0.00000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.5000000  -1.0000000   0.0000000 )
+
+      8 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  699.2765  (   3263 G-vectors)     FFT grid: ( 40, 40, 40)
+     G cutoff =  279.7106  (    818 G-vectors)  smooth grid: ( 24, 24, 24)
+
+     number of k points=   524  Gaussian smearing, width (Ry)=  0.0100
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     Mode symmetry, D_2d (-42m) point group:
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   7m12.71s CPU   7m40.08s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   461.5 secs   av.it.:   7.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.643E-05
+
+      iter #   2 total cpu time :   463.0 secs   av.it.:   8.8
+      thresh= 8.742E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.311E-05
+
+      iter #   3 total cpu time :   464.4 secs   av.it.:   8.1
+      thresh= 3.621E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.107E-08
+
+      iter #   4 total cpu time :   465.8 secs   av.it.:   8.2
+      thresh= 1.763E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.220E-09
+
+      iter #   5 total cpu time :   467.1 secs   av.it.:   7.7
+      thresh= 4.711E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.247E-12
+
+      iter #   6 total cpu time :   468.5 secs   av.it.:   8.7
+      thresh= 1.117E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.624E-15
+
+      iter #   7 total cpu time :   470.0 secs   av.it.:   8.2
+      thresh= 8.731E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.373E-16
+
+      iter #   8 total cpu time :   471.4 secs   av.it.:   8.7
+      thresh= 1.540E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.183E-19
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   474.2 secs   av.it.:   7.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.098E-05
+
+      iter #   2 total cpu time :   477.3 secs   av.it.:   9.4
+      thresh= 5.566E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.396E-06
+
+      iter #   3 total cpu time :   480.3 secs   av.it.:   8.8
+      thresh= 2.719E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.202E-08
+
+      iter #   4 total cpu time :   483.3 secs   av.it.:   9.1
+      thresh= 1.096E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.107E-10
+
+      iter #   5 total cpu time :   486.1 secs   av.it.:   8.6
+      thresh= 1.763E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.967E-13
+
+      iter #   6 total cpu time :   489.2 secs   av.it.:   9.2
+      thresh= 8.347E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.477E-15
+
+      iter #   7 total cpu time :   492.2 secs   av.it.:   9.1
+      thresh= 7.401E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.203E-16
+
+      iter #   8 total cpu time :   495.1 secs   av.it.:   8.9
+      thresh= 1.097E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.602E-20
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1  -0.500000000  -1.000000000   0.000000000
+          2   0.000000000   1.000000000   0.500000000
+          3   0.000000000  -1.000000000  -0.500000000
+          4   0.500000000   1.000000000   0.000000000
+          5  -1.000000000  -0.500000000   0.000000000
+          6   0.000000000  -0.500000000  -1.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.500000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       7.539894 [THz] =     251.503781 [cm-1]
+     freq (    2) =       9.366552 [THz] =     312.434546 [cm-1]
+     freq (    3) =       9.366552 [THz] =     312.434546 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_2d (-42m) point group:
+
+     freq (   1-   1) =        251.5  [cm-1]   --> B_2  X_3  W_2      
+     freq (   2-   3) =        312.4  [cm-1]   --> E    X_5  W_3      
+
+     init_run     :      0.22s CPU      0.23s WALL (       7 calls)
+     electrons    :     92.33s CPU     95.71s WALL (       7 calls)
+
+     Called by init_run:
+     wfcinit      :      0.00s CPU      0.00s WALL (       7 calls)
+     potinit      :      0.03s CPU      0.04s WALL (       7 calls)
+     hinit0       :      0.05s CPU      0.05s WALL (       7 calls)
+
+     Called by electrons:
+     c_bands      :     92.31s CPU     95.69s WALL (       7 calls)
+     v_of_rho     :      0.03s CPU      0.04s WALL (       8 calls)
+
+     Called by c_bands:
+     init_us_2    :      1.37s CPU      1.47s WALL (   87057 calls)
+     init_us_2:cp :      1.30s CPU      1.39s WALL (   87057 calls)
+     cegterg      :     86.85s CPU     89.95s WALL (    5599 calls)
+
+     Called by *egterg:
+     cdiaghg      :     20.77s CPU     21.51s WALL (   91626 calls)
+     h_psi        :    314.96s CPU    335.49s WALL ( 1079192 calls)
+     g_psi        :      0.32s CPU      0.34s WALL (   86190 calls)
+
+     Called by h_psi:
+     h_psi:calbec :     13.47s CPU     14.34s WALL ( 1079192 calls)
+     vloc_psi     :    291.64s CPU    310.68s WALL ( 1079192 calls)
+     add_vuspsi   :      6.76s CPU      7.23s WALL ( 1079192 calls)
+
+     General routines
+     calbec       :     24.02s CPU     25.68s WALL ( 2122611 calls)
+     fft          :      0.66s CPU      0.71s WALL (    2679 calls)
+     ffts         :      0.63s CPU      0.68s WALL (    9220 calls)
+     fftw         :    315.41s CPU    336.07s WALL (10084788 calls)
+     interpolate  :      0.09s CPU      0.12s WALL (     402 calls)
+     davcio       :      3.66s CPU      4.19s WALL (  371167 calls)
+
+     Parallel routines
+
+     PHONON       :   7m45.43s CPU   8m15.18s WALL
+
+     INITIALIZATION: 
+     phq_setup    :      0.09s CPU      0.10s WALL (       8 calls)
+     phq_init     :      1.14s CPU      1.22s WALL (       8 calls)
+
+     phq_init     :      1.14s CPU      1.22s WALL (       8 calls)
+     init_vloc    :      0.01s CPU      0.01s WALL (       8 calls)
+     init_us_1    :      0.04s CPU      0.04s WALL (       8 calls)
+     init_us_2    :      1.37s CPU      1.47s WALL (   87057 calls)
+
+     DYNAMICAL MATRIX:
+     dynmat0      :      0.62s CPU      0.67s WALL (       8 calls)
+     phqscf       :    371.07s CPU    397.29s WALL (       8 calls)
+     dynmatrix    :      0.00s CPU      0.00s WALL (       8 calls)
+
+     phqscf       :    371.07s CPU    397.29s WALL (       8 calls)
+     solve_linter :    369.98s CPU    396.11s WALL (      17 calls)
+     drhodv       :      1.09s CPU      1.17s WALL (      17 calls)
+
+     dynmat0      :      0.62s CPU      0.67s WALL (       8 calls)
+     dynmat_us    :      0.62s CPU      0.67s WALL (       8 calls)
+     d2ionq       :      0.00s CPU      0.00s WALL (       8 calls)
+
+     dynmat_us    :      0.62s CPU      0.67s WALL (       8 calls)
+
+     phqscf       :    371.07s CPU    397.29s WALL (       8 calls)
+     solve_linter :    369.98s CPU    396.11s WALL (      17 calls)
+
+     solve_linter :    369.98s CPU    396.11s WALL (      17 calls)
+     dvqpsi_us    :      6.47s CPU      6.96s WALL (    8370 calls)
+     sth_kernel   :    359.19s CPU    384.61s WALL (     143 calls)
+     apply_dpot_b :     21.09s CPU     22.54s WALL (   63865 calls)
+     ortho        :      2.37s CPU      2.54s WALL (   72235 calls)
+     cgsolve      :    306.26s CPU    327.94s WALL (   72235 calls)
+     incdrhoscf   :     23.45s CPU     25.00s WALL (   72235 calls)
+     dv_of_drho   :      0.65s CPU      0.69s WALL (     193 calls)
+     mix_pot      :      0.13s CPU      0.18s WALL (     143 calls)
+     ef_shift     :      0.01s CPU      0.01s WALL (       7 calls)
+     ef_shift_wfc :      0.00s CPU      0.00s WALL (       1 calls)
+     localdos     :      0.04s CPU      0.05s WALL (       1 calls)
+     psymdvscf    :      3.08s CPU      3.14s WALL (     143 calls)
+
+     dvqpsi_us    :      6.47s CPU      6.96s WALL (    8370 calls)
+     dvqpsi_us_on :      0.76s CPU      0.81s WALL (    8370 calls)
+
+     cgsolve      :    306.26s CPU    327.94s WALL (   72235 calls)
+     ch_psi       :    290.53s CPU    311.09s WALL (  981967 calls)
+
+     ch_psi       :    290.53s CPU    311.09s WALL (  981967 calls)
+     h_psi        :    314.96s CPU    335.49s WALL ( 1079192 calls)
+     last         :     25.16s CPU     26.92s WALL (  981967 calls)
+
+     h_psi        :    314.96s CPU    335.49s WALL ( 1079192 calls)
+     add_vuspsi   :      6.76s CPU      7.23s WALL ( 1079192 calls)
+
+     incdrhoscf   :     23.45s CPU     25.00s WALL (   72235 calls)
+
+
+      General routines
+     calbec       :     24.02s CPU     25.68s WALL ( 2122611 calls)
+     fft          :      0.66s CPU      0.71s WALL (    2679 calls)
+     ffts         :      0.63s CPU      0.68s WALL (    9220 calls)
+     fftw         :    315.41s CPU    336.07s WALL (10084788 calls)
+     davcio       :      3.66s CPU      4.19s WALL (  371167 calls)
+     write_rec    :      0.05s CPU      0.07s WALL (     160 calls)
+
+
+     PHONON       :   7m45.43s CPU   8m15.18s WALL
+
+
+   This run was terminated on:  15:39:25   3Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/aluminum/q2r.in b/user_static/data/aluminum/q2r.in
new file mode 100644
index 0000000..0ef7803
--- /dev/null
+++ b/user_static/data/aluminum/q2r.in
@@ -0,0 +1,6 @@
+al
+&INPUT
+  fildyn = 'dyn'
+  zasr = 'crystal'
+  flfrc = 'fc'
+/
diff --git a/user_static/data/aluminum/q2r.out b/user_static/data/aluminum/q2r.out
new file mode 100644
index 0000000..ce62478
--- /dev/null
+++ b/user_static/data/aluminum/q2r.out
@@ -0,0 +1,116 @@
+
+     Program Q2R v.7.1 starts on  3Jun2024 at 16: 6: 0 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     241187 MiB available memory on the printing compute node when the environment starts
+
+
+     reading grid info from file dyn0    
+  reading force constants from file dyn1
+  Dielectric Tensor not found
+  nqs=            1
+ q=   0.00000000  0.00000000  0.00000000
+  reading force constants from file dyn2
+  nqs=            8
+ q=  -0.25000000  0.25000000 -0.25000000
+ q=   0.25000000 -0.25000000 -0.25000000
+ q=   0.25000000 -0.25000000  0.25000000
+ q=   0.25000000  0.25000000  0.25000000
+ q=  -0.25000000 -0.25000000 -0.25000000
+ q=  -0.25000000 -0.25000000  0.25000000
+ q=  -0.25000000  0.25000000  0.25000000
+ q=   0.25000000  0.25000000 -0.25000000
+  reading force constants from file dyn3
+  nqs=            4
+ q=   0.50000000 -0.50000000  0.50000000
+ q=   0.50000000  0.50000000  0.50000000
+ q=  -0.50000000  0.50000000  0.50000000
+ q=   0.50000000  0.50000000 -0.50000000
+  reading force constants from file dyn4
+  nqs=            6
+ q=   0.00000000  0.50000000  0.00000000
+ q=   0.00000000 -0.50000000  0.00000000
+ q=   0.50000000  0.00000000  0.00000000
+ q=   0.00000000  0.00000000  0.50000000
+ q=   0.00000000  0.00000000 -0.50000000
+ q=  -0.50000000  0.00000000  0.00000000
+  reading force constants from file dyn5
+  nqs=           24
+ q=   0.75000000 -0.25000000  0.75000000
+ q=   0.75000000 -0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000  0.75000000
+ q=  -0.75000000  0.25000000 -0.75000000
+ q=  -0.25000000  0.75000000 -0.75000000
+ q=  -0.75000000  0.75000000 -0.25000000
+ q=   0.75000000  0.25000000  0.75000000
+ q=  -0.75000000  0.25000000  0.75000000
+ q=   0.75000000  0.25000000 -0.75000000
+ q=  -0.75000000  0.75000000  0.25000000
+ q=  -0.25000000  0.75000000  0.75000000
+ q=   0.25000000  0.75000000 -0.75000000
+ q=  -0.25000000 -0.75000000 -0.75000000
+ q=   0.75000000  0.75000000 -0.25000000
+ q=   0.75000000 -0.75000000  0.25000000
+ q=  -0.75000000 -0.75000000 -0.25000000
+ q=   0.25000000 -0.75000000  0.75000000
+ q=  -0.75000000 -0.75000000  0.25000000
+ q=   0.25000000  0.75000000  0.75000000
+ q=  -0.25000000 -0.75000000  0.75000000
+ q=   0.75000000  0.75000000  0.25000000
+ q=   0.25000000 -0.75000000 -0.75000000
+ q=   0.75000000 -0.75000000 -0.25000000
+  reading force constants from file dyn6
+  nqs=           12
+ q=   0.50000000  0.00000000  0.50000000
+ q=  -0.50000000  0.00000000  0.50000000
+ q=  -0.50000000  0.00000000 -0.50000000
+ q=   0.50000000  0.00000000 -0.50000000
+ q=   0.00000000  0.50000000 -0.50000000
+ q=  -0.50000000  0.50000000  0.00000000
+ q=   0.00000000  0.50000000  0.50000000
+ q=   0.00000000 -0.50000000 -0.50000000
+ q=   0.50000000  0.50000000  0.00000000
+ q=   0.50000000 -0.50000000  0.00000000
+ q=  -0.50000000 -0.50000000  0.00000000
+ q=   0.00000000 -0.50000000  0.50000000
+  reading force constants from file dyn7
+  nqs=            3
+ q=   0.00000000 -1.00000000  0.00000000
+ q=  -1.00000000  0.00000000  0.00000000
+ q=   0.00000000  0.00000000 -1.00000000
+  reading force constants from file dyn8
+  nqs=            6
+ q=  -0.50000000 -1.00000000  0.00000000
+ q=   0.00000000  1.00000000  0.50000000
+ q=   0.00000000 -1.00000000 -0.50000000
+ q=   0.50000000  1.00000000  0.00000000
+ q=  -1.00000000 -0.50000000  0.00000000
+ q=   0.00000000 -0.50000000 -1.00000000
+
+      q-space grid ok, #points =   64
+
+      fft-check success (sum of imaginary terms < 10^-12)
+
+     Q2R          :      0.01s CPU      0.01s WALL
+
+
+   This run was terminated on:  16: 6: 0   3Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/aluminum/scf.in b/user_static/data/aluminum/scf.in
new file mode 100644
index 0000000..5f475f4
--- /dev/null
+++ b/user_static/data/aluminum/scf.in
@@ -0,0 +1,32 @@
+&CONTROL
+  calculation= 'scf',
+  restart_mode= 'from_scratch',
+  prefix= 'al',
+  outdir= './tmp',
+  pseudo_dir= '/home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06'
+/
+
+&SYSTEM
+  ibrav= 2,
+  celldm(1) =  7.430521943924787
+  nat= 1,
+  ntyp= 1,
+  ecutwfc= 50,
+  ecutrho= 500,
+  occupations= 'smearing',
+  smearing= 'gaussian',
+  degauss= 0.01
+/
+
+&ELECTRONS
+  conv_thr= 1e-11
+/
+
+ATOMIC_SPECIES
+  Al 26.981539 Al_ONCV_PBE-1.2.upf
+
+ATOMIC_POSITIONS (alat)
+  Al 0.00 0.00 0.00
+
+K_POINTS (automatic)
+  12 12 12  0 0 0
\ No newline at end of file
diff --git a/user_static/data/aluminum/scf.out b/user_static/data/aluminum/scf.out
new file mode 100644
index 0000000..7eddefb
--- /dev/null
+++ b/user_static/data/aluminum/scf.out
@@ -0,0 +1,680 @@
+
+     Program PWSCF v.7.1 starts on  3Jun2024 at 15:31: 8 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     243602 MiB available memory on the printing compute node when the environment starts
+
+     Waiting for input...
+     Reading input from standard input
+
+     Current dimensions of program PWSCF are:
+     Max number of different atomic species (ntypx) = 10
+     Max number of k-points (npk) =  40000
+     Max angular momentum in pseudopotentials (lmaxx) =  4
+     Message from routine setup:
+     no reason to have ecutrho>4*ecutwfc
+
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min         159      63     20                 3262      817     156
+     Max         160      64     21                 3266      819     160
+     Sum         955     379    121                19579     4909     941
+
+     Using Slab Decomposition
+
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       7.4305  a.u.
+     unit-cell volume          =     102.5647 (a.u.)^3
+     number of atoms/cell      =            1
+     number of atomic types    =            1
+     number of electrons       =        11.00
+     number of Kohn-Sham states=           10
+     kinetic-energy cutoff     =      50.0000  Ry
+     charge density cutoff     =     500.0000  Ry
+     scf convergence threshold =      1.0E-11
+     mixing beta               =       0.7000
+     number of iterations used =            8  plain     mixing
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   7.430522  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for Al read from file:
+     /home/bonacc_m/Downloads/sg15_oncv_upf_2020-02-06/Al_ONCV_PBE-1.2.upf
+     MD5 check sum: 2d9e7bc02555220d62fad08c3c4858e7
+     Pseudo is Norm-conserving, Zval = 11.0
+     Generated using ONCVPSP code by D. R. Hamann
+     Using radial grid of  602 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+
+     atomic species   valence    mass     pseudopotential
+        Al            11.00    26.98154     Al( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+
+     number of k points=    72  Gaussian smearing, width (Ry)=  0.0100
+                       cart. coord. in units 2pi/alat
+        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0011574
+        k(    2) = (  -0.0833333   0.0833333  -0.0833333), wk =   0.0092593
+        k(    3) = (  -0.1666667   0.1666667  -0.1666667), wk =   0.0092593
+        k(    4) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0092593
+        k(    5) = (  -0.3333333   0.3333333  -0.3333333), wk =   0.0092593
+        k(    6) = (  -0.4166667   0.4166667  -0.4166667), wk =   0.0092593
+        k(    7) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0046296
+        k(    8) = (   0.0000000   0.1666667   0.0000000), wk =   0.0069444
+        k(    9) = (  -0.0833333   0.2500000  -0.0833333), wk =   0.0277778
+        k(   10) = (  -0.1666667   0.3333333  -0.1666667), wk =   0.0277778
+        k(   11) = (  -0.2500000   0.4166667  -0.2500000), wk =   0.0277778
+        k(   12) = (  -0.3333333   0.5000000  -0.3333333), wk =   0.0277778
+        k(   13) = (   0.5833333  -0.4166667   0.5833333), wk =   0.0277778
+        k(   14) = (   0.5000000  -0.3333333   0.5000000), wk =   0.0277778
+        k(   15) = (   0.4166667  -0.2500000   0.4166667), wk =   0.0277778
+        k(   16) = (   0.3333333  -0.1666667   0.3333333), wk =   0.0277778
+        k(   17) = (   0.2500000  -0.0833333   0.2500000), wk =   0.0277778
+        k(   18) = (   0.1666667  -0.0000000   0.1666667), wk =   0.0138889
+        k(   19) = (   0.0000000   0.3333333   0.0000000), wk =   0.0069444
+        k(   20) = (  -0.0833333   0.4166667  -0.0833333), wk =   0.0277778
+        k(   21) = (  -0.1666667   0.5000000  -0.1666667), wk =   0.0277778
+        k(   22) = (  -0.2500000   0.5833333  -0.2500000), wk =   0.0277778
+        k(   23) = (   0.6666667  -0.3333333   0.6666667), wk =   0.0277778
+        k(   24) = (   0.5833333  -0.2500000   0.5833333), wk =   0.0277778
+        k(   25) = (   0.5000000  -0.1666667   0.5000000), wk =   0.0277778
+        k(   26) = (   0.4166667  -0.0833333   0.4166667), wk =   0.0277778
+        k(   27) = (   0.3333333   0.0000000   0.3333333), wk =   0.0138889
+        k(   28) = (   0.0000000   0.5000000   0.0000000), wk =   0.0069444
+        k(   29) = (  -0.0833333   0.5833333  -0.0833333), wk =   0.0277778
+        k(   30) = (  -0.1666667   0.6666667  -0.1666667), wk =   0.0277778
+        k(   31) = (   0.7500000  -0.2500000   0.7500000), wk =   0.0277778
+        k(   32) = (   0.6666667  -0.1666667   0.6666667), wk =   0.0277778
+        k(   33) = (   0.5833333  -0.0833333   0.5833333), wk =   0.0277778
+        k(   34) = (   0.5000000   0.0000000   0.5000000), wk =   0.0138889
+        k(   35) = (   0.0000000   0.6666667   0.0000000), wk =   0.0069444
+        k(   36) = (  -0.0833333   0.7500000  -0.0833333), wk =   0.0277778
+        k(   37) = (   0.8333333  -0.1666667   0.8333333), wk =   0.0277778
+        k(   38) = (   0.7500000  -0.0833333   0.7500000), wk =   0.0277778
+        k(   39) = (   0.6666667  -0.0000000   0.6666667), wk =   0.0138889
+        k(   40) = (   0.0000000   0.8333333   0.0000000), wk =   0.0069444
+        k(   41) = (   0.9166667  -0.0833333   0.9166667), wk =   0.0277778
+        k(   42) = (   0.8333333   0.0000000   0.8333333), wk =   0.0138889
+        k(   43) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0034722
+        k(   44) = (  -0.1666667   0.3333333   0.0000000), wk =   0.0277778
+        k(   45) = (  -0.2500000   0.4166667  -0.0833333), wk =   0.0555556
+        k(   46) = (  -0.3333333   0.5000000  -0.1666667), wk =   0.0555556
+        k(   47) = (   0.5833333  -0.4166667   0.7500000), wk =   0.0555556
+        k(   48) = (   0.5000000  -0.3333333   0.6666667), wk =   0.0277778
+        k(   49) = (  -0.1666667   0.5000000   0.0000000), wk =   0.0277778
+        k(   50) = (  -0.2500000   0.5833333  -0.0833333), wk =   0.0555556
+        k(   51) = (   0.6666667  -0.3333333   0.8333333), wk =   0.0555556
+        k(   52) = (   0.5833333  -0.2500000   0.7500000), wk =   0.0555556
+        k(   53) = (   0.5000000  -0.1666667   0.6666667), wk =   0.0555556
+        k(   54) = (   0.4166667  -0.0833333   0.5833333), wk =   0.0555556
+        k(   55) = (   0.3333333   0.0000000   0.5000000), wk =   0.0277778
+        k(   56) = (  -0.1666667   0.6666667  -0.0000000), wk =   0.0277778
+        k(   57) = (   0.7500000  -0.2500000   0.9166667), wk =   0.0555556
+        k(   58) = (   0.6666667  -0.1666667   0.8333333), wk =   0.0555556
+        k(   59) = (   0.5833333  -0.0833333   0.7500000), wk =   0.0555556
+        k(   60) = (   0.5000000   0.0000000   0.6666667), wk =   0.0277778
+        k(   61) = (   0.8333333  -0.1666667   1.0000000), wk =   0.0277778
+        k(   62) = (   0.7500000  -0.0833333   0.9166667), wk =   0.0555556
+        k(   63) = (   0.6666667   0.0000000   0.8333333), wk =   0.0277778
+        k(   64) = (  -0.1666667  -1.0000000  -0.0000000), wk =   0.0138889
+        k(   65) = (   0.6666667  -0.3333333   1.0000000), wk =   0.0277778
+        k(   66) = (   0.5833333  -0.2500000   0.9166667), wk =   0.0555556
+        k(   67) = (   0.5000000  -0.1666667   0.8333333), wk =   0.0277778
+        k(   68) = (   0.6666667  -0.1666667   1.0000000), wk =   0.0277778
+        k(   69) = (   0.5833333  -0.0833333   0.9166667), wk =   0.0555556
+        k(   70) = (   0.5000000   0.0000000   0.8333333), wk =   0.0277778
+        k(   71) = (  -0.3333333  -1.0000000   0.0000000), wk =   0.0138889
+        k(   72) = (  -0.5000000  -1.0000000   0.0000000), wk =   0.0069444
+
+     Dense  grid:    19579 G-vectors     FFT dimensions: (  40,  40,  40)
+
+     Smooth grid:     4909 G-vectors     FFT dimensions: (  24,  24,  24)
+
+     Estimated max dynamical RAM per process >       3.85 MB
+
+     Estimated total dynamical RAM >      23.10 MB
+
+     Initial potential from superposition of free atoms
+
+     starting charge      10.9185, renormalised to      11.0000
+     Starting wfcs are random
+
+     total cpu time spent up to now is        0.2 secs
+
+     Self-consistent Calculation
+
+     iteration #  1     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.00E-02,  avg # of iterations =  7.4
+
+     Threshold (ethr) on eigenvalues was too large:
+     Diagonalizing with lowered threshold
+
+     Davidson diagonalization with overlap
+     ethr =  1.75E-04,  avg # of iterations =  2.6
+
+     total cpu time spent up to now is        1.0 secs
+
+     total energy              =    -138.39973910 Ry
+     estimated scf accuracy    <       0.01696256 Ry
+
+     iteration #  2     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.54E-04,  avg # of iterations =  1.8
+
+     total cpu time spent up to now is        1.1 secs
+
+     total energy              =    -138.40145345 Ry
+     estimated scf accuracy    <       0.00056103 Ry
+
+     iteration #  3     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  5.10E-06,  avg # of iterations =  2.9
+
+     total cpu time spent up to now is        1.4 secs
+
+     total energy              =    -138.40147140 Ry
+     estimated scf accuracy    <       0.00002120 Ry
+
+     iteration #  4     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.93E-07,  avg # of iterations =  1.5
+
+     total cpu time spent up to now is        1.6 secs
+
+     total energy              =    -138.40147239 Ry
+     estimated scf accuracy    <       0.00000008 Ry
+
+     iteration #  5     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  7.32E-10,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        1.8 secs
+
+     total energy              =    -138.40147241 Ry
+     estimated scf accuracy    <          6.1E-10 Ry
+
+     iteration #  6     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  5.53E-12,  avg # of iterations =  2.1
+
+     total cpu time spent up to now is        2.0 secs
+
+     total energy              =    -138.40147241 Ry
+     estimated scf accuracy    <          2.2E-11 Ry
+
+     iteration #  7     ecut=    50.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.98E-13,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        2.3 secs
+
+     End of self-consistent calculation
+
+          k = 0.0000 0.0000 0.0000 (   609 PWs)   bands (ev):
+
+   -91.2112 -52.7292 -52.7292 -52.7292   0.3744  25.3360  25.3360  25.3361
+    27.3431  27.3431
+
+          k =-0.0833 0.0833-0.0833 (   606 PWs)   bands (ev):
+
+   -91.2085 -52.7313 -52.7295 -52.7295   0.5740  22.6435  24.8234  24.8234
+    27.8313  28.1775
+
+          k =-0.1667 0.1667-0.1667 (   597 PWs)   bands (ev):
+
+   -91.2024 -52.7371 -52.7304 -52.7304   1.1709  19.0986  24.1282  24.1282
+    27.5599  29.3114
+
+          k =-0.2500 0.2500-0.2500 (   607 PWs)   bands (ev):
+
+   -91.2074 -52.7450 -52.7316 -52.7316   2.1588  15.7252  23.6762  23.6762
+    27.2817  27.7922
+
+          k =-0.3333 0.3333-0.3333 (   613 PWs)   bands (ev):
+
+   -91.2100 -52.7529 -52.7328 -52.7328   3.5289  12.6287  23.5318  23.5318
+    26.2999  26.2999
+
+          k =-0.4167 0.4167-0.4167 (   604 PWs)   bands (ev):
+
+   -91.2037 -52.7587 -52.7337 -52.7337   5.2684   9.8489  23.7070  23.7070
+    25.1250  25.1250
+
+          k = 0.5000-0.5000 0.5000 (   610 PWs)   bands (ev):
+
+   -91.2063 -52.7608 -52.7340 -52.7340   7.1610   7.6086  24.0710  24.0710
+    24.4256  24.4256
+
+          k = 0.0000 0.1667 0.0000 (   605 PWs)   bands (ev):
+
+   -91.2078 -52.7312 -52.7300 -52.7300   0.6405  23.6500  23.6500  23.7693
+    26.7308  29.4375
+
+          k =-0.0833 0.2500-0.0833 (   599 PWs)   bands (ev):
+
+   -91.2037 -52.7356 -52.7310 -52.7306   1.1047  20.3596  22.7375  24.0002
+    27.1374  27.6567
+
+          k =-0.1667 0.3333-0.1667 (   605 PWs)   bands (ev):
+
+   -91.2061 -52.7426 -52.7323 -52.7317   1.9617  16.9569  22.1415  23.6769
+    25.6931  28.8391
+
+          k =-0.2500 0.4167-0.2500 (   606 PWs)   bands (ev):
+
+   -91.2059 -52.7504 -52.7336 -52.7330   3.2041  13.7802  21.8745  23.3800
+    24.1410  28.7245
+
+          k =-0.3333 0.5000-0.3333 (   608 PWs)   bands (ev):
+
+   -91.2058 -52.7567 -52.7344 -52.7344   4.8199  10.8999  21.9420  22.5617
+    23.7340  27.4557
+
+          k = 0.5833-0.4167 0.5833 (   610 PWs)   bands (ev):
+
+   -91.2058 -52.7599 -52.7353 -52.7345   6.7786   8.3643  21.6190  22.3471
+    24.1273  26.4968
+
+          k = 0.5000-0.3333 0.5000 (   608 PWs)   bands (ev):
+
+   -91.2049 -52.7592 -52.7356 -52.7340   6.0944   9.1634  20.9888  23.0924
+    24.8969  25.8635
+
+          k = 0.4167-0.2500 0.4167 (   608 PWs)   bands (ev):
+
+   -91.2063 -52.7548 -52.7351 -52.7330   4.2408  11.8220  20.7019  24.1793
+    25.5550  26.0045
+
+          k = 0.3333-0.1667 0.3333 (   611 PWs)   bands (ev):
+
+   -91.2089 -52.7478 -52.7340 -52.7317   2.7477  14.7995  20.7663  25.5479
+    25.6117  27.4108
+
+          k = 0.2500-0.0833 0.2500 (   606 PWs)   bands (ev):
+
+   -91.2071 -52.7402 -52.7325 -52.7305   1.6327  18.0338  21.2008  25.8074
+    27.3129  28.5340
+
+          k = 0.1667-0.0000 0.1667 (   596 PWs)   bands (ev):
+
+   -91.2023 -52.7342 -52.7309 -52.7297   0.9061  21.1404  22.2824  25.8558
+    27.6949  28.4764
+
+          k = 0.0000 0.3333 0.0000 (   597 PWs)   bands (ev):
+
+   -91.2021 -52.7368 -52.7322 -52.7322   1.4351  21.5969  21.6764  21.6764
+    25.0836  25.5941
+
+          k =-0.0833 0.4167-0.0833 (   605 PWs)   bands (ev):
+
+   -91.2055 -52.7420 -52.7337 -52.7335   2.1586  18.4412  20.9519  22.1794
+    23.1998  25.7720
+
+          k =-0.1667 0.5000-0.1667 (   608 PWs)   bands (ev):
+
+   -91.2065 -52.7485 -52.7350 -52.7350   3.2688  15.2518  20.5649  21.1952
+    22.3723  27.6066
+
+          k =-0.2500 0.5833-0.2500 (   615 PWs)   bands (ev):
+
+   -91.2089 -52.7542 -52.7369 -52.7358   4.7549  12.3000  19.7865  20.5160
+    22.3698  29.9883
+
+          k = 0.6667-0.3333 0.6667 (   606 PWs)   bands (ev):
+
+   -91.2025 -52.7577 -52.7386 -52.7359   6.5986   9.6583  18.6795  20.8067
+    22.7134  29.0710
+
+          k = 0.5833-0.2500 0.5833 (   612 PWs)   bands (ev):
+
+   -91.2057 -52.7580 -52.7397 -52.7352   7.2803   8.8579  17.9212  21.4383
+    23.4097  28.3335
+
+          k = 0.5000-0.1667 0.5000 (   614 PWs)   bands (ev):
+
+   -91.2077 -52.7551 -52.7396 -52.7340   5.3322  11.3615  17.5342  22.4127
+    24.4537  27.9086
+
+          k = 0.4167-0.0833 0.4167 (   611 PWs)   bands (ev):
+
+   -91.2076 -52.7502 -52.7383 -52.7326   3.7233  14.1514  17.5679  23.7287
+    25.8213  27.7547
+
+          k = 0.3333 0.0000 0.3333 (   616 PWs)   bands (ev):
+
+   -91.2116 -52.7447 -52.7357 -52.7313   2.4860  16.7650  18.4326  25.3749
+    27.4089  27.4545
+
+          k = 0.0000 0.5000 0.0000 (   592 PWs)   bands (ev):
+
+   -91.1969 -52.7444 -52.7353 -52.7353   2.7478  19.8026  20.1067  20.1067
+    20.7809  24.1023
+
+          k =-0.0833 0.5833-0.0833 (   609 PWs)   bands (ev):
+
+   -91.2059 -52.7490 -52.7370 -52.7367   3.7225  16.9687  18.8290  19.6017
+    20.8571  24.5487
+
+          k =-0.1667 0.6667-0.1667 (   611 PWs)   bands (ev):
+
+   -91.2057 -52.7532 -52.7394 -52.7376   5.0740  14.0126  17.2365  19.4370
+    21.0868  26.5929
+
+          k = 0.7500-0.2500 0.7500 (   616 PWs)   bands (ev):
+
+   -91.2072 -52.7556 -52.7422 -52.7377   6.7851  11.3032  15.9872  19.6118
+    21.3957  29.2733
+
+          k = 0.6667-0.1667 0.6667 (   615 PWs)   bands (ev):
+
+   -91.2059 -52.7555 -52.7446 -52.7370   8.6282   9.1091  15.1102  20.1272
+    22.0114  31.1350
+
+          k = 0.5833-0.0833 0.5833 (   616 PWs)   bands (ev):
+
+   -91.2071 -52.7537 -52.7453 -52.7357   6.7922  11.2046  14.6675  20.9847
+    22.9708  30.6008
+
+          k = 0.5000 0.0000 0.5000 (   616 PWs)   bands (ev):
+
+   -91.2087 -52.7519 -52.7428 -52.7340   5.0763  13.3400  15.1173  22.1857
+    24.2598  29.9733
+
+          k = 0.0000 0.6667 0.0000 (   624 PWs)   bands (ev):
+
+   -91.2131 -52.7519 -52.7384 -52.7384   4.5601  16.7074  18.4986  18.9812
+    18.9812  22.9870
+
+          k =-0.0833 0.7500-0.0833 (   615 PWs)   bands (ev):
+
+   -91.2070 -52.7549 -52.7402 -52.7394   5.7720  14.9122  16.0587  18.7015
+    19.8493  23.6615
+
+          k = 0.8333-0.1667 0.8333 (   617 PWs)   bands (ev):
+
+   -91.2071 -52.7561 -52.7432 -52.7396   7.3370  13.0878  13.8064  18.7611
+    20.3240  25.9491
+
+          k = 0.7500-0.0833 0.7500 (   618 PWs)   bands (ev):
+
+   -91.2072 -52.7546 -52.7470 -52.7389   9.1843  10.7687  12.7214  19.1604
+    20.8941  28.8809
+
+          k = 0.6667-0.0000 0.6667 (   606 PWs)   bands (ev):
+
+   -91.2006 -52.7508 -52.7507 -52.7374   8.5998  10.9027  12.6428  19.9011
+    21.7690  32.0140
+
+          k = 0.0000 0.8333 0.0000 (   620 PWs)   bands (ev):
+
+   -91.2096 -52.7574 -52.7406 -52.7406   6.8343  13.0683  17.7110  18.3070
+    18.3070  22.2766
+
+          k = 0.9167-0.0833 0.9167 (   618 PWs)   bands (ev):
+
+   -91.2076 -52.7583 -52.7421 -52.7409   8.2112  11.5927  15.5390  18.2521
+    19.3466  23.2001
+
+          k = 0.8333 0.0000 0.8333 (   618 PWs)   bands (ev):
+
+   -91.2072 -52.7570 -52.7448 -52.7403   9.4468  10.9507  13.1326  18.5362
+    20.0677  25.7295
+
+          k = 0.0000-1.0000 0.0000 (   620 PWs)   bands (ev):
+
+   -91.2083 -52.7593 -52.7414 -52.7414   8.9631  10.4838  17.4479  18.0826
+    18.0826  22.0329
+
+          k =-0.1667 0.3333 0.0000 (   599 PWs)   bands (ev):
+
+   -91.2029 -52.7397 -52.7332 -52.7313   1.6987  18.9649  20.3625  24.7127
+    25.4910  26.9514
+
+          k =-0.2500 0.4167-0.0833 (   606 PWs)   bands (ev):
+
+   -91.2059 -52.7459 -52.7353 -52.7323   2.6824  16.0977  19.3944  23.5949
+    24.9898  28.2932
+
+          k =-0.3333 0.5000-0.1667 (   612 PWs)   bands (ev):
+
+   -91.2080 -52.7523 -52.7369 -52.7336   4.0467  13.0841  19.1511  22.0320
+    25.0073  27.9105
+
+          k = 0.5833-0.4167 0.7500 (   607 PWs)   bands (ev):
+
+   -91.2038 -52.7571 -52.7378 -52.7348   5.7782  10.3346  19.2828  20.8297
+    25.2503  26.7240
+
+          k = 0.5000-0.3333 0.6667 (   606 PWs)   bands (ev):
+
+   -91.2026 -52.7589 -52.7381 -52.7353   7.6509   8.1199  19.5643  20.1918
+    25.6920  25.9562
+
+          k =-0.1667 0.5000 0.0000 (   605 PWs)   bands (ev):
+
+   -91.2046 -52.7462 -52.7363 -52.7343   3.0085  17.2552  18.7306  21.1417
+    23.1281  25.6964
+
+          k =-0.2500 0.5833-0.0833 (   612 PWs)   bands (ev):
+
+   -91.2072 -52.7510 -52.7387 -52.7355   4.2398  14.6263  17.9147  19.4851
+    23.6775  27.2378
+
+          k = 0.6667-0.3333 0.8333 (   615 PWs)   bands (ev):
+
+   -91.2074 -52.7548 -52.7407 -52.7366   5.8403  11.8464  17.6189  18.4064
+    23.9566  29.2397
+
+          k = 0.5833-0.2500 0.7500 (   612 PWs)   bands (ev):
+
+   -91.2047 -52.7565 -52.7422 -52.7369   7.7738   9.3553  16.8934  18.5198
+    24.4521  28.4898
+
+          k = 0.5000-0.1667 0.6667 (   613 PWs)   bands (ev):
+
+   -91.2055 -52.7558 -52.7428 -52.7361   7.1032  10.1258  16.3041  19.2426
+    25.2551  27.8222
+
+          k = 0.4167-0.0833 0.5833 (   613 PWs)   bands (ev):
+
+   -91.2067 -52.7530 -52.7418 -52.7348   5.2680  12.6778  16.1152  20.3528
+    26.3613  27.3962
+
+          k = 0.3333 0.0000 0.5000 (   616 PWs)   bands (ev):
+
+   -91.2100 -52.7495 -52.7391 -52.7334   3.7878  15.0517  16.7830  21.8155
+    26.7077  27.6775
+
+          k =-0.1667 0.6667-0.0000 (   614 PWs)   bands (ev):
+
+   -91.2074 -52.7523 -52.7395 -52.7378   4.8173  16.0287  16.7722  17.8650
+    21.9419  24.6599
+
+          k = 0.7500-0.2500 0.9167 (   614 PWs)   bands (ev):
+
+   -91.2058 -52.7546 -52.7421 -52.7388   6.2802  13.6186  15.4264  17.1994
+    22.7398  26.4265
+
+          k = 0.6667-0.1667 0.8333 (   618 PWs)   bands (ev):
+
+   -91.2073 -52.7548 -52.7452 -52.7389   8.0833  11.0921  14.3495  17.3730
+    23.2671  29.1268
+
+          k = 0.5833-0.0833 0.7500 (   616 PWs)   bands (ev):
+
+   -91.2061 -52.7531 -52.7478 -52.7380   8.7703  10.2344  13.6660  17.9949
+    24.0069  30.6240
+
+          k = 0.5000 0.0000 0.6667 (   608 PWs)   bands (ev):
+
+   -91.2022 -52.7525 -52.7466 -52.7364   6.8547  12.1198  13.8709  18.9966
+    25.0476  29.6657
+
+          k = 0.8333-0.1667 1.0000 (   615 PWs)   bands (ev):
+
+   -91.2061 -52.7566 -52.7418 -52.7405   7.0861  13.2931  15.2914  17.0021
+    21.2226  23.9958
+
+          k = 0.7500-0.0833 0.9167 (   620 PWs)   bands (ev):
+
+   -91.2083 -52.7562 -52.7445 -52.7406   8.7046  12.0227  13.2541  16.6597
+    22.2619  25.9997
+
+          k = 0.6667 0.0000 0.8333 (   616 PWs)   bands (ev):
+
+   -91.2059 -52.7537 -52.7480 -52.7396  10.1740  10.6948  11.9693  17.1168
+    23.0323  28.9478
+
+          k =-0.1667-1.0000-0.0000 (   620 PWs)   bands (ev):
+
+   -91.2086 -52.7581 -52.7426 -52.7415   9.2048  10.7310  15.0454  16.7514
+    20.9819  23.7688
+
+          k = 0.6667-0.3333 1.0000 (   624 PWs)   bands (ev):
+
+   -91.2119 -52.7529 -52.7425 -52.7368   5.5854  13.8281  15.5014  17.8947
+    25.5992  27.6332
+
+          k = 0.5833-0.2500 0.9167 (   621 PWs)   bands (ev):
+
+   -91.2091 -52.7538 -52.7453 -52.7381   7.2894  11.6893  15.0254  16.6951
+    26.5217  28.1054
+
+          k = 0.5000-0.1667 0.8333 (   620 PWs)   bands (ev):
+
+   -91.2083 -52.7540 -52.7463 -52.7386   9.1155   9.5868  15.1541  16.1355
+    27.0201  27.4491
+
+          k = 0.6667-0.1667 1.0000 (   615 PWs)   bands (ev):
+
+   -91.2053 -52.7545 -52.7450 -52.7401   7.8378  13.0947  13.8051  15.2467
+    24.8967  27.1019
+
+          k = 0.5833-0.0833 0.9167 (   619 PWs)   bands (ev):
+
+   -91.2075 -52.7528 -52.7480 -52.7406   9.6771  11.1726  13.0460  14.9145
+    26.0820  29.2736
+
+          k = 0.5000 0.0000 0.8333 (   617 PWs)   bands (ev):
+
+   -91.2063 -52.7514 -52.7494 -52.7397   9.0748  11.3889  13.0383  15.5471
+    26.9950  29.0253
+
+          k =-0.3333-1.0000 0.0000 (   618 PWs)   bands (ev):
+
+   -91.2070 -52.7549 -52.7459 -52.7415   9.9314  11.4333  12.8502  14.8220
+    24.6593  26.9056
+
+          k =-0.5000-1.0000 0.0000 (   616 PWs)   bands (ev):
+
+   -91.2061 -52.7504 -52.7504 -52.7416  11.1454  11.1454  12.1266  13.6857
+    28.7991  28.7991
+
+     the Fermi energy is    11.9829 ev
+
+!    total energy              =    -138.40147241 Ry
+     estimated scf accuracy    <          2.0E-12 Ry
+     smearing contrib. (-TS)   =      -0.00033478 Ry
+     internal energy E=F+TS    =    -138.40113763 Ry
+
+     The total energy is F=E-TS. E is the sum of the following terms:
+     one-electron contribution =     -81.47374765 Ry
+     hartree contribution      =      33.43799418 Ry
+     xc contribution           =     -15.70463824 Ry
+     ewald contribution        =     -74.66074593 Ry
+
+     convergence has been achieved in   7 iterations
+
+     Writing all to output data dir ./tmp/al.save/
+
+     init_run     :      0.12s CPU      0.12s WALL (       1 calls)
+     electrons    :      2.02s CPU      2.12s WALL (       1 calls)
+
+     Called by init_run:
+     wfcinit      :      0.07s CPU      0.07s WALL (       1 calls)
+     potinit      :      0.02s CPU      0.02s WALL (       1 calls)
+     hinit0       :      0.01s CPU      0.01s WALL (       1 calls)
+
+     Called by electrons:
+     c_bands      :      1.78s CPU      1.86s WALL (       8 calls)
+     sum_band     :      0.20s CPU      0.21s WALL (       8 calls)
+     v_of_rho     :      0.03s CPU      0.04s WALL (       8 calls)
+     mix_rho      :      0.00s CPU      0.00s WALL (       8 calls)
+
+     Called by c_bands:
+     init_us_2    :      0.02s CPU      0.02s WALL (    1224 calls)
+     init_us_2:cp :      0.02s CPU      0.02s WALL (    1224 calls)
+     cegterg      :      1.75s CPU      1.83s WALL (     576 calls)
+
+     Called by *egterg:
+     cdiaghg      :      0.18s CPU      0.19s WALL (    2111 calls)
+     h_psi        :      1.32s CPU      1.38s WALL (    2255 calls)
+     g_psi        :      0.01s CPU      0.01s WALL (    1607 calls)
+
+     Called by h_psi:
+     h_psi:calbec :      0.05s CPU      0.05s WALL (    2255 calls)
+     vloc_psi     :      1.24s CPU      1.29s WALL (    2255 calls)
+     add_vuspsi   :      0.03s CPU      0.03s WALL (    2255 calls)
+
+     General routines
+     calbec       :      0.05s CPU      0.05s WALL (    2255 calls)
+     fft          :      0.02s CPU      0.03s WALL (      94 calls)
+     ffts         :      0.00s CPU      0.00s WALL (      16 calls)
+     fftw         :      1.33s CPU      1.38s WALL (   39482 calls)
+     interpolate  :      0.00s CPU      0.00s WALL (       8 calls)
+
+     Parallel routines
+
+     PWSCF        :      2.20s CPU      2.31s WALL
+
+
+   This run was terminated on:  15:31:10   3Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/diamond.json b/user_static/data/diamond.json
new file mode 100644
index 0000000..ef2cf51
--- /dev/null
+++ b/user_static/data/diamond.json
@@ -0,0 +1 @@
+{"name": "diamond", "natoms": 2, "lattice": [[-1.7462847883469996, 0.0, 1.7462847883469996], [0.0, 1.7462847883469996, 1.7462847883469996], [-1.7462847883469996, 1.7462847883469996, 0.0]], "atom_types": ["C", "C"], "atom_numbers": [6, 6], "formula": "C2", "qpoints": [[-0.0, 0.0, 0.0], [0.024999999999999998, 2.325627699718214e-19, 0.024999999999999998], [0.049999999999999996, 4.651255399436428e-19, 0.049999999999999996], [0.075, 3.1008369329576185e-19, 0.075], [0.09999999999999999, 9.302510798872856e-19, 0.09999999999999999], [0.12499999999999999, 1.5504184664788094e-18, 0.12499999999999999], [0.15, 6.201673865915237e-19, 0.15], [0.17499999999999996, -1.10870345681526e-17, 0.17499999999999996], [0.19999999999999998, 1.8605021597745712e-18, 0.19999999999999998], [0.22499999999999998, -1.2947536727927171e-17, 0.22499999999999998], [0.24999999999999997, 3.1008369329576188e-18, 0.24999999999999997], [0.275, 1.2947536727927171e-17, 0.275], [0.3, 1.2403347731830474e-18, 0.3], [0.32499999999999996, -1.0466867181561077e-17, 0.32499999999999996], [0.3499999999999999, -2.21740691363052e-17, 0.3499999999999999], [0.375, 1.5428206274293266e-17, 0.375], [0.39999999999999997, 3.7210043195491424e-18, 0.39999999999999997], [0.42499999999999993, -7.98619763519498e-18, 0.42499999999999993], [0.44999999999999996, -2.5895073455854342e-17, 0.44999999999999996], [0.475, 1.790887582065936e-17, 0.475], [0.49999999999999994, 6.2016738659152376e-18, 0.49999999999999994], [0.5062499999999999, 0.012499999999999909, 0.5062499999999999], [0.5125, 0.025000000000000036, 0.5125], [0.5187499999999999, 0.03749999999999999, 0.5187499999999999], [0.5249999999999999, 0.04999999999999995, 0.5249999999999999], [0.53125, 0.06250000000000008, 0.53125], [0.5375, 0.07500000000000004, 0.5375], [0.54375, 0.08750000000000001, 0.54375], [0.5499999999999999, 0.1, 0.5499999999999999], [0.5562499999999999, 0.11249999999999996, 0.5562499999999999], [0.5625, 0.12500000000000006, 0.5625], [0.56875, 0.13750000000000004, 0.56875], [0.575, 0.15000000000000002, 0.575], [0.5812499999999999, 0.16249999999999998, 0.5812499999999999], [0.5874999999999999, 0.17499999999999993, 0.5874999999999999], [0.59375, 0.18750000000000006, 0.59375], [0.5999999999999999, 0.2, 0.6], [0.60625, 0.21250000000000002, 0.60625], [0.6124999999999999, 0.22499999999999998, 0.6124999999999999], [0.6187499999999999, 0.23749999999999996, 0.6187499999999999], [0.6249999999999999, 0.24999999999999992, 0.6249999999999999], [0.6375, 0.275, 0.6375], [0.6499999999999999, 0.3, 0.6499999999999999], [0.6624999999999999, 0.3249999999999999, 0.6624999999999999], [0.6749999999999998, 0.3499999999999999, 0.6749999999999999], [0.6874999999999999, 0.37499999999999994, 0.6874999999999999], [0.6999999999999998, 0.39999999999999986, 0.6999999999999998], [0.7125, 0.4249999999999998, 0.7124999999999998], [0.725, 0.45000000000000007, 0.725], [0.7374999999999999, 0.475, 0.7374999999999999], [0.75, 0.5000000000000001, 0.75], [0.7625, 0.525, 0.7625], [0.7749999999999999, 0.5499999999999999, 0.7749999999999999], [0.7875, 0.575, 0.7874999999999999], [0.7999999999999999, 0.6, 0.7999999999999999], [0.8124999999999999, 0.6249999999999999, 0.8124999999999999], [0.8249999999999998, 0.6499999999999999, 0.825], [0.8374999999999999, 0.6749999999999999, 0.8374999999999999], [0.8499999999999999, 0.6999999999999998, 0.8499999999999999], [0.8624999999999998, 0.7249999999999998, 0.8624999999999998], [0.875, 0.75, 0.8749999999999999], [0.8874999999999998, 0.7749999999999999, 0.8874999999999998], [0.8999999999999998, 0.7999999999999999, 0.8999999999999999], [0.9124999999999999, 0.825, 0.9124999999999999], [0.9249999999999997, 0.8499999999999999, 0.9249999999999999], [0.9374999999999999, 0.8749999999999999, 0.9374999999999999], [0.9499999999999998, 0.8999999999999999, 0.95], [0.9624999999999999, 0.9249999999999999, 0.9624999999999999], [0.975, 0.9500000000000001, 0.975], [0.9874999999999999, 0.975, 0.9874999999999999], [0.9999999999999999, 0.9999999999999999, 0.9999999999999999], [0.975, 0.975, 0.975], [0.95, 0.95, 0.95], [0.9249999999999999, 0.9249999999999999, 0.9249999999999999], [0.8999999999999999, 0.8999999999999999, 0.8999999999999999], [0.8749999999999999, 0.8749999999999999, 0.8749999999999999], [0.8499999999999999, 0.8499999999999999, 0.8499999999999999], [0.825, 0.825, 0.825], [0.7999999999999999, 0.7999999999999999, 0.7999999999999999], [0.7749999999999999, 0.7749999999999999, 0.7749999999999999], [0.75, 0.75, 0.75], [0.725, 0.725, 0.725], [0.6999999999999998, 0.6999999999999998, 0.6999999999999998], [0.6749999999999999, 0.6749999999999999, 0.6749999999999999], [0.6499999999999999, 0.6499999999999999, 0.6499999999999999], [0.6249999999999999, 0.6249999999999999, 0.6249999999999999], [0.6, 0.6, 0.6], [0.575, 0.575, 0.575], [0.55, 0.55, 0.55], [0.525, 0.525, 0.525], [0.49999999999999994, 0.49999999999999994, 0.49999999999999994], [0.49999999999999994, 0.48749999999999993, 0.5125], [0.5000000000000001, 0.47500000000000003, 0.525], [0.5, 0.4625, 0.5375], [0.49999999999999994, 0.4499999999999999, 0.5499999999999999], [0.49999999999999994, 0.43749999999999994, 0.5624999999999999], [0.49999999999999994, 0.42499999999999993, 0.575], [0.5, 0.41250000000000003, 0.5875], [0.49999999999999994, 0.4, 0.6], [0.49999999999999994, 0.38749999999999996, 0.6124999999999999], [0.49999999999999994, 0.37499999999999983, 0.6249999999999999], [0.49999999999999994, 0.3624999999999999, 0.6374999999999998], [0.49999999999999994, 0.3499999999999999, 0.6499999999999999], [0.4999999999999999, 0.3374999999999999, 0.6625], [0.4999999999999999, 0.32499999999999996, 0.6749999999999999], [0.49999999999999994, 0.3124999999999999, 0.6874999999999999], [0.5, 0.2999999999999999, 0.6999999999999998], [0.49999999999999994, 0.28749999999999987, 0.7124999999999998], [0.49999999999999994, 0.275, 0.725], [0.5, 0.26250000000000007, 0.7375], [0.49999999999999994, 0.25000000000000006, 0.75], [0.49999999999999994, 0.2375, 0.7374999999999999], [0.49999999999999994, 0.22500000000000006, 0.725], [0.49999999999999994, 0.21249999999999986, 0.7124999999999998], [0.5, 0.19999999999999993, 0.6999999999999998], [0.5, 0.18749999999999997, 0.6874999999999999], [0.5, 0.17500000000000002, 0.6749999999999999], [0.49999999999999994, 0.16249999999999992, 0.6624999999999999], [0.49999999999999994, 0.14999999999999997, 0.6499999999999999], [0.49999999999999994, 0.1375, 0.6375], [0.49999999999999994, 0.12499999999999996, 0.6249999999999999], [0.49999999999999994, 0.11249999999999999, 0.6124999999999999], [0.49999999999999994, 0.10000000000000003, 0.6], [0.49999999999999994, 0.08749999999999997, 0.5874999999999999], [0.49999999999999994, 0.07500000000000001, 0.575], [0.49999999999999994, 0.06250000000000006, 0.5625], [0.49999999999999994, 0.049999999999999996, 0.5499999999999999], [0.49999999999999994, 0.03750000000000004, 0.5375], [0.49999999999999994, 0.024999999999999974, 0.5249999999999999], [0.49999999999999994, 0.012500000000000018, 0.5125], [0.49999999999999994, 6.2016738659152376e-18, 0.49999999999999994]], "repetitions": [3, 3, 3], "atom_pos_car": [[0.0, 0.0, 0.0], [0.8731423941734998, 0.8731423941734999, 0.8731423941734999]], "atom_pos_red": [[0.0, 0.0, 0.0], [-0.25, 0.75, -0.25]], "eigenvalues": [[2.4e-05, 3.6e-05, 4.5e-05, 1373.065242, 1373.065242, 1373.065242], [85.59788, 59.862286, 59.862286, 1373.60113, 1372.114825, 1372.114825], [170.719645, 119.472933, 119.472933, 1375.148167, 1369.244029, 1369.244029], [254.901974, 178.57447, 178.57447, 1377.532465, 1364.401698, 1364.401698], [337.705818, 236.898148, 236.898148, 1380.488939, 1357.525873, 1357.525873], [418.725504, 294.159317, 294.159317, 1383.692357, 1348.573442, 1348.573442], [497.59482, 350.054157, 350.054157, 1386.790586, 1337.552448, 1337.552448], [573.989962, 404.25833, 404.25833, 1389.43353, 1324.5506, 1324.5506], [647.629708, 456.428085, 456.428085, 1391.293077, 1309.754645, 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-0.001894]], [[0.0, -0.095519], [0.241324, 0.020891], [-0.660637, 0.0]]], [[[-0.0, 0.0], [0.065859, -0.005183], [0.0, 0.0]], [[-0.0, 0.994776], [0.0, -0.0], [-0.077819, 0.0]]], [[[-5.4e-05, -0.001659], [0.69127, -0.054404], [0.142334, -0.004611]], [[0.0, 0.008061], [0.142607, 0.006587], [0.691706, 0.0]]], [[[-0.829856, 0.54856], [-0.0, -0.0], [0.042913, 0.064918]], [[-0.0, -0.0], [-0.031994, -0.057799], [0.0, 0.0]]], [[[-0.000261, -0.008057], [-0.142319, 0.011201], [0.691344, -0.022395]], [[0.0, -0.00166], [0.692669, 0.031995], [-0.142409, 0.0]]], [[[-0.000746, 0.095516], [-0.24148, 0.019005], [-0.660617, -0.005163]], [[0.0, 0.03505], [0.657667, 0.056934], [0.242414, -0.0]]]], [[[[-0.00022, -0.00585], [-0.700897, 0.027538], [0.081182, -0.003048]], [[0.0, 0.050554], [-0.081224, -0.000141], [0.701568, 0.0]]], [[[0.0, 0.0], [0.033019, -0.001297], [0.0, -0.0]], [[0.0, 0.998696], [0.0, -0.0], [-0.038926, 0.0]]], [[[-3e-06, -0.000565], [0.700188, -0.02751], [0.096248, -0.000558]], [[0.0, 0.00411], [0.096254, 0.003223], [0.700302, 0.0]]], [[[-0.356781, -0.932791], [0.0, 0.0], [-0.036358, 0.013906]], [[-0.0, 0.0], [0.031304, -0.010584], [-0.0, 0.0]]], [[[2.4e-05, 0.00411], [0.096234, -0.003781], [-0.70029, 0.004058]], [[-0.0, 0.000565], [-0.700336, -0.023453], [0.09625, 0.0]]], [[[0.001897, 0.050519], [-0.081161, 0.003189], [-0.701074, 0.026324]], [[0.0, 0.005854], [0.701437, 0.00122], [0.081239, -0.0]]]], [[[[0.0, -0.0], [-0.707107, 0.0], [-0.0, -0.0]], [[0.0, -0.0], [0.0, 0.0], [0.707107, 0.0]]], [[[0.312313, -0.011922], [-0.0, -0.0], [0.0, 0.0]], [[-0.938019, -0.149799], [-0.0, -0.0], [0.0, 0.0]]], [[[-0.0, 0.0], [0.707107, -0.0], [0.0, 0.0]], [[-0.0, 0.0], [0.0, -0.0], [0.707107, 0.0]]], [[[-0.949891, -0.004985], [0.0, -0.0], [-0.0, 0.0]], [[-0.3062, -0.062632], [0.0, -0.0], [0.0, 0.0]]], [[[-0.0, -0.0], [0.0, -0.0], [-0.707107, -0.0]], [[-0.0, -0.0], [-0.707107, -0.0], [0.0, 0.0]]], [[[-0.0, 0.0], [-0.0, 0.0], [0.707107, 0.0]], [[0.0, -0.0], [-0.707107, -0.0], [0.0, 0.0]]]]]}
\ No newline at end of file
diff --git a/user_static/data/diamond/matdyn.in b/user_static/data/diamond/matdyn.in
new file mode 100644
index 0000000..7311b3d
--- /dev/null
+++ b/user_static/data/diamond/matdyn.in
@@ -0,0 +1,17 @@
+&INPUT
+  asr = 'crystal'
+  flfrc = 'diamond.fc'
+  flfrq = 'diamond.freq'
+  flvec = 'diamond.modes'
+!  loto_2d = .true.
+  q_in_cryst_coord = .true.
+  q_in_band_form = .true.
+/
+7
+0.000 0.000 0.000  20 ! G
+0.5000000000	0.0000000000	0.5000000000  20 ! X
+0.6250000000	0.2500000000	0.6250000000 30 ! K
+1 1 1  20 ! G
+0.5000000000	0.5000000000	0.5000000000  20 ! L
+0.5000000000	0.2500000000	0.7500000000   20 ! W
+0.5000000000	0.0000000000	0.5000000000  1 ! X
diff --git a/user_static/data/diamond/matdyn.modes b/user_static/data/diamond/matdyn.modes
new file mode 100644
index 0000000..b0d6de6
--- /dev/null
+++ b/user_static/data/diamond/matdyn.modes
@@ -0,0 +1,3013 @@
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       0.000001 [THz] =       0.000024 [cm-1]
+ (  0.635117  -0.000000    -0.309377   0.000000     0.030195  -0.000000   )
+ (  0.635117  -0.000000    -0.309377   0.000000     0.030195  -0.000000   )
+     freq (    2) =       0.000001 [THz] =       0.000036 [cm-1]
+ ( -0.036124   0.000000    -0.005237   0.000000     0.706164   0.000000   )
+ ( -0.036124   0.000000    -0.005237   0.000000     0.706164   0.000000   )
+     freq (    3) =       0.000001 [THz] =       0.000045 [cm-1]
+ (  0.308741   0.000000     0.635813   0.000000     0.020509   0.000000   )
+ (  0.308741   0.000000     0.635813   0.000000     0.020509   0.000000   )
+     freq (    4) =      41.163460 [THz] =    1373.065242 [cm-1]
+ (  0.684172   0.000000     0.178632   0.000000    -0.000000   0.000000   )
+ ( -0.684172   0.000000    -0.178632   0.000000    -0.000000   0.000000   )
+     freq (    5) =      41.163460 [THz] =    1373.065242 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.707107   0.000000   )
+     freq (    6) =      41.163460 [THz] =    1373.065242 [cm-1]
+ (  0.178632   0.000000    -0.684172   0.000000     0.000000   0.000000   )
+ ( -0.178632   0.000000     0.684172   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.0500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       1.794626 [THz] =      59.862286 [cm-1]
+ (  0.000000   0.000000    -0.673722  -0.048611    -0.209003  -0.007352   )
+ (  0.000000  -0.000000    -0.675519   0.001593    -0.208976   0.000000   )
+     freq (    2) =       1.794626 [THz] =      59.862286 [cm-1]
+ (  0.000000  -0.000000    -0.207639  -0.024944     0.673165   0.055794   )
+ (  0.000000  -0.000000    -0.208975   0.000493     0.675521   0.000000   )
+     freq (    3) =       2.566160 [THz] =      85.597880 [cm-1]
+ (  0.702107   0.083942     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.706528   0.028597     0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      41.134968 [THz] =    1372.114825 [cm-1]
+ (  0.000000   0.000000     0.119077   0.015242    -0.694565  -0.056278   )
+ ( -0.000000  -0.000000    -0.119916   0.003504     0.696856   0.000000   )
+     freq (    5) =      41.134968 [THz] =    1372.114825 [cm-1]
+ (  0.000000   0.000000     0.696072   0.032752     0.120048   0.000067   )
+ ( -0.000000   0.000000    -0.696558   0.020353    -0.119968   0.000000   )
+     freq (    6) =      41.179526 [THz] =    1373.601130 [cm-1]
+ (  0.701241  -0.090889    -0.000000   0.000000    -0.000000   0.000000   )
+ ( -0.691948   0.145628     0.000000  -0.000000     0.000000  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       3.581708 [THz] =     119.472933 [cm-1]
+ ( -0.000000   0.000000     0.222956   0.037638    -0.660723  -0.110992   )
+ ( -0.000000   0.000000     0.226185  -0.016264    -0.669758   0.000000   )
+     freq (    2) =       3.581708 [THz] =     119.472933 [cm-1]
+ ( -0.000000   0.000000     0.668049   0.050834     0.225472   0.016975   )
+ ( -0.000000   0.000000     0.668033  -0.048034     0.226769   0.000000   )
+     freq (    3) =       5.118046 [THz] =     170.719645 [cm-1]
+ ( -0.690874  -0.150644    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.705934  -0.040712    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =      41.048903 [THz] =    1369.244029 [cm-1]
+ ( -0.000000  -0.000000    -0.003064   0.019347    -0.698133  -0.110573   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.707107   0.000000   )
+     freq (    5) =      41.048903 [THz] =    1369.244029 [cm-1]
+ (  0.000000   0.000000     0.699563   0.101134     0.002803  -0.019387   )
+ ( -0.000000   0.000000    -0.707042   0.009551    -0.000000   0.000000   )
+     freq (    6) =      41.225905 [THz] =    1375.148167 [cm-1]
+ ( -0.700862  -0.093768     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.706902  -0.017025    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.1500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       5.353528 [THz] =     178.574470 [cm-1]
+ ( -0.000000   0.000000    -0.007211   0.030035    -0.686913  -0.164913   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       5.353528 [THz] =     178.574470 [cm-1]
+ (  0.000000   0.000000     0.696976  -0.115197    -0.005037  -0.030475   )
+ (  0.000000  -0.000000     0.651448  -0.274982     0.000000   0.000000   )
+     freq (    3) =       7.641769 [THz] =     254.901974 [cm-1]
+ ( -0.206983  -0.676135     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.359105  -0.609134     0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      40.903734 [THz] =    1364.401698 [cm-1]
+ ( -0.000000  -0.000000    -0.684262   0.175590     0.007678   0.029919   )
+ (  0.000000  -0.000000     0.624961  -0.330792     0.000000   0.000000   )
+     freq (    5) =      40.903734 [THz] =    1364.401698 [cm-1]
+ ( -0.000000   0.000000    -0.007211   0.030035    -0.686913  -0.164913   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    6) =      41.297384 [THz] =    1377.532465 [cm-1]
+ ( -0.312004  -0.634550     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.451516   0.544181    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       7.102028 [THz] =     236.898148 [cm-1]
+ ( -0.000000   0.000000    -0.316180  -0.121657     0.583432   0.211747   )
+ ( -0.000000   0.000000    -0.338956   0.020638     0.620228   0.000000   )
+     freq (    2) =       7.102028 [THz] =     236.898148 [cm-1]
+ (  0.000000  -0.000000     0.605796   0.135059     0.332012   0.067370   )
+ (  0.000000  -0.000000     0.619081  -0.037694     0.339584   0.000000   )
+     freq (    3) =      10.124166 [THz] =     337.705818 [cm-1]
+ (  0.692881   0.141122    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.702578  -0.079897    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =      40.697602 [THz] =    1357.525873 [cm-1]
+ ( -0.000000  -0.000000     0.307097   0.079706     0.606812   0.176403   )
+ (  0.000000  -0.000000    -0.317312  -0.020248    -0.631588   0.000000   )
+     freq (    5) =      40.697602 [THz] =    1357.525873 [cm-1]
+ (  0.000000   0.000000    -0.579776  -0.251393     0.287309   0.134593   )
+ ( -0.000000   0.000000     0.630306   0.040220    -0.317957   0.000000   )
+     freq (    6) =      41.386017 [THz] =    1380.488939 [cm-1]
+ (  0.642390   0.295525     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.702271  -0.082552    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.2500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =       8.818674 [THz] =     294.159317 [cm-1]
+ ( -0.000000   0.000000    -0.022788   0.055014    -0.650961  -0.269637   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    2) =       8.818674 [THz] =     294.159317 [cm-1]
+ ( -0.000000  -0.000000     0.367056  -0.601435    -0.050828  -0.031021   )
+ ( -0.000000  -0.000000     0.109345  -0.698601     0.000000   0.000000   )
+     freq (    3) =      12.553075 [THz] =     418.725504 [cm-1]
+ ( -0.030491  -0.706449    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.298516  -0.641005    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      40.429215 [THz] =    1348.573442 [cm-1]
+ (  0.000000  -0.000000     0.260914  -0.654506    -0.055314  -0.022050   )
+ ( -0.000000   0.000000     0.009449   0.707044     0.000000   0.000000   )
+     freq (    5) =      40.429215 [THz] =    1348.573442 [cm-1]
+ ( -0.000000   0.000000    -0.022788   0.055014    -0.650961  -0.269637   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    6) =      41.482053 [THz] =    1383.692357 [cm-1]
+ (  0.599893   0.374337    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.697482  -0.116273     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      10.494360 [THz] =     350.054157 [cm-1]
+ ( -0.000000   0.000000    -0.035483   0.069639    -0.626176  -0.319053   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    2) =      10.494360 [THz] =     350.054157 [cm-1]
+ ( -0.000000   0.000000     0.038206   0.701735     0.078042  -0.004249   )
+ ( -0.000000   0.000000     0.354797   0.611653     0.000000   0.000000   )
+     freq (    3) =      14.917517 [THz] =     497.594820 [cm-1]
+ ( -0.510151  -0.489638     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.676839  -0.204667     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =      40.098814 [THz] =    1337.552448 [cm-1]
+ ( -0.000000   0.000000    -0.191449  -0.676194    -0.075201   0.021292   )
+ (  0.000000  -0.000000     0.480512   0.518756     0.000000   0.000000   )
+     freq (    5) =      40.098814 [THz] =    1337.552448 [cm-1]
+ ( -0.000000   0.000000    -0.035483   0.069639    -0.626176  -0.319053   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    6) =      41.574936 [THz] =    1386.790586 [cm-1]
+ (  0.234679   0.667028     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.511925  -0.487784    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.3500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      12.119360 [THz] =     404.258330 [cm-1]
+ (  0.000000   0.000000    -0.420201  -0.342870     0.340918   0.299409   )
+ (  0.000000  -0.000000    -0.542940  -0.008509     0.452928   0.000000   )
+     freq (    2) =      12.119360 [THz] =     404.258330 [cm-1]
+ ( -0.000000  -0.000000     0.418868   0.174417     0.492778   0.226492   )
+ ( -0.000000   0.000000     0.452872   0.007098     0.543007   0.000000   )
+     freq (    3) =      17.207786 [THz] =     573.989962 [cm-1]
+ (  0.107983   0.698813    -0.000000   0.000000     0.000000   0.000000   )
+ (  0.457200   0.539415     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =      39.709028 [THz] =    1324.550600 [cm-1]
+ (  0.000000   0.000000     0.615413   0.321487     0.128330  -0.037999   )
+ ( -0.000000   0.000000    -0.699805   0.034230    -0.095397   0.000000   )
+     freq (    5) =      39.709028 [THz] =    1324.550600 [cm-1]
+ (  0.000000   0.000000     0.030803   0.130245    -0.584822  -0.374261   )
+ ( -0.000000   0.000000    -0.095283   0.004661     0.700642   0.000000   )
+     freq (    6) =      41.654169 [THz] =    1389.433530 [cm-1]
+ (  0.289661   0.645055     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.584017  -0.398652     0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      13.683370 [THz] =     456.428085 [cm-1]
+ (  0.000000  -0.000000    -0.456107  -0.525149    -0.096050   0.083422   )
+ ( -0.000000  -0.000000    -0.688915  -0.159361     0.000000   0.000000   )
+     freq (    2) =      13.683370 [THz] =     456.428085 [cm-1]
+ (  0.000000   0.000000    -0.074778   0.102923    -0.562726  -0.408845   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      19.415450 [THz] =     647.629708 [cm-1]
+ ( -0.498707   0.501290     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.108812   0.698684    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      39.265456 [THz] =    1309.754645 [cm-1]
+ ( -0.000000  -0.000000    -0.612461  -0.329706    -0.060304   0.112020   )
+ (  0.000000   0.000000     0.700723  -0.094805     0.000000   0.000000   )
+     freq (    5) =      39.265456 [THz] =    1309.754645 [cm-1]
+ (  0.000000   0.000000    -0.074778   0.102923    -0.562726  -0.408845   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    6) =      41.709917 [THz] =    1391.293077 [cm-1]
+ (  0.642831  -0.294565    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.346920   0.616155     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.4500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      15.175618 [THz] =     506.204123 [cm-1]
+ (  0.000000  -0.000000     0.202872   0.009846     0.538341   0.411018   )
+ ( -0.000000  -0.000000     0.164884   0.031020     0.686914  -0.000000   )
+     freq (    2) =      15.175618 [THz] =     506.204123 [cm-1]
+ ( -0.000000   0.000000    -0.395300  -0.549985     0.003983   0.203072   )
+ (  0.000000   0.000000    -0.675071  -0.127004     0.167777   0.000000   )
+     freq (    3) =      21.533297 [THz] =     718.273482 [cm-1]
+ ( -0.353539  -0.612381    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.666543  -0.236052    -0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =      38.776875 [THz] =    1293.457335 [cm-1]
+ (  0.000000   0.000000     0.623624   0.292919     0.067613  -0.143947   )
+ ( -0.000000  -0.000000    -0.681914   0.187067     0.000000  -0.000000   )
+     freq (    5) =      38.776875 [THz] =    1293.457335 [cm-1]
+ ( -0.000000  -0.000000    -0.103285   0.120931    -0.523912  -0.447463   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    6) =      41.733274 [THz] =    1392.072169 [cm-1]
+ ( -0.661253  -0.250489     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.665500  -0.238976    -0.000000   0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      16.585062 [THz] =     553.218135 [cm-1]
+ ( -0.000000  -0.000000    -0.139014   0.139014    -0.480286  -0.480286   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    2) =      16.585062 [THz] =     553.218135 [cm-1]
+ ( -0.000000  -0.000000    -0.438117  -0.519041    -0.150231   0.126809   )
+ ( -0.000000   0.000000    -0.704593  -0.059570     0.000000   0.000000   )
+     freq (    3) =      23.555238 [THz] =     785.718161 [cm-1]
+ ( -0.296306   0.642030     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.244464   0.663504     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    4) =      38.255053 [THz] =    1276.051209 [cm-1]
+ ( -0.000000  -0.000000    -0.139014   0.139014    -0.480286  -0.480286   )
+ (  0.000000   0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    5) =      38.255053 [THz] =    1276.051209 [cm-1]
+ (  0.000000   0.000000     0.647621   0.204785     0.059273  -0.187447   )
+ ( -0.000000   0.000000    -0.627482   0.325985     0.000000   0.000000   )
+     freq (    6) =      41.716237 [THz] =    1391.503883 [cm-1]
+ ( -0.504599  -0.495359     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.707077  -0.006534    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      17.900651 [THz] =     597.101451 [cm-1]
+ ( -0.000000   0.000000    -0.249836  -0.439875    -0.435498  -0.233310   )
+ ( -0.000000   0.000000    -0.528221  -0.246511    -0.400268   0.000000   )
+     freq (    2) =      17.900651 [THz] =     597.101451 [cm-1]
+ ( -0.000000   0.000000     0.050255  -0.491494     0.224828   0.453168   )
+ ( -0.000000   0.000000    -0.362714  -0.169272     0.582911   0.000000   )
+     freq (    3) =      25.476195 [THz] =     849.794384 [cm-1]
+ (  0.497169   0.502815     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.705229  -0.051498     0.000000  -0.000000     0.000000  -0.000000   )
+     freq (    4) =      37.714213 [THz] =    1258.010742 [cm-1]
+ (  0.000000  -0.000000    -0.320302  -0.569105    -0.084738   0.257576   )
+ ( -0.000000   0.000000     0.681381   0.070640    -0.175300   0.000000   )
+     freq (    5) =      37.714213 [THz] =    1258.010742 [cm-1]
+ (  0.000000   0.000000    -0.270709   0.015568    -0.467459  -0.456022   )
+ ( -0.000000   0.000000     0.174366   0.018077     0.685033   0.000000   )
+     freq (    6) =      41.651473 [THz] =    1389.343585 [cm-1]
+ ( -0.065065  -0.704107     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.577663   0.407805     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      19.111610 [THz] =     637.494677 [cm-1]
+ ( -0.000000  -0.000000    -0.634144  -0.114834    -0.051851   0.286333   )
+ ( -0.000000  -0.000000    -0.510910   0.488847     0.000000   0.000000   )
+     freq (    2) =      19.111610 [THz] =     637.494677 [cm-1]
+ (  0.000000  -0.000000    -0.235415   0.171039    -0.378802  -0.521377   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    3) =      27.291995 [THz] =     910.362948 [cm-1]
+ ( -0.035726   0.706204    -0.000000   0.000000     0.000000   0.000000   )
+ (  0.550332   0.443999    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      37.170257 [THz] =    1239.866320 [cm-1]
+ (  0.000000  -0.000000    -0.235415   0.171039    -0.378802  -0.521377   )
+ (  0.000000   0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    5) =      37.170257 [THz] =    1239.866320 [cm-1]
+ (  0.000000  -0.000000    -0.265208  -0.587358    -0.265208   0.119748   )
+ (  0.000000   0.000000     0.692416   0.143387     0.000000   0.000000   )
+     freq (    6) =      41.531995 [THz] =    1385.358249 [cm-1]
+ (  0.563442  -0.427239     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.014460   0.706959    -0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      20.207716 [THz] =     674.056866 [cm-1]
+ (  0.000000  -0.000000    -0.296791   0.181874    -0.321596  -0.524798   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.707107   0.000000   )
+     freq (    2) =      20.207716 [THz] =     674.056866 [cm-1]
+ (  0.000000  -0.000000    -0.610398   0.079063     0.044713   0.345201   )
+ ( -0.000000  -0.000000    -0.288956   0.645372     0.000000   0.000000   )
+     freq (    3) =      28.999274 [THz] =     967.311673 [cm-1]
+ ( -0.316486   0.632327    -0.000000   0.000000    -0.000000   0.000000   )
+ (  0.373784   0.600238     0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      36.639869 [THz] =    1222.174462 [cm-1]
+ ( -0.000000  -0.000000     0.302989   0.535756     0.302989  -0.171350   )
+ (  0.000000   0.000000    -0.706672  -0.024805     0.000000   0.000000   )
+     freq (    5) =      36.639869 [THz] =    1222.174462 [cm-1]
+ (  0.000000  -0.000000    -0.296791   0.181874    -0.321596  -0.524798   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    6) =      41.350881 [THz] =    1379.316908 [cm-1]
+ ( -0.097863  -0.700302     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.648239   0.282465     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      21.179520 [THz] =     706.472728 [cm-1]
+ (  0.000000  -0.000000    -0.119415   0.378826    -0.068905  -0.580933   )
+ ( -0.000000  -0.000000     0.348159  -0.092467    -0.608469   0.000000   )
+     freq (    2) =      21.179520 [THz] =     706.472728 [cm-1]
+ (  0.000000  -0.000000     0.517053   0.273656     0.396404   0.025149   )
+ ( -0.000000  -0.000000     0.588082  -0.156188     0.360229   0.000000   )
+     freq (    3) =      30.595407 [THz] =    1020.552910 [cm-1]
+ (  0.533980  -0.463536     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.170592  -0.686220    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      36.139647 [THz] =    1205.488857 [cm-1]
+ (  0.000000   0.000000     0.045846  -0.573597    -0.409650  -0.032742   )
+ ( -0.000000   0.000000     0.602457   0.370197     0.000000   0.000000   )
+     freq (    5) =      36.139647 [THz] =    1205.488857 [cm-1]
+ (  0.000000  -0.000000     0.366165  -0.186570     0.261238   0.512708   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    6) =      41.101100 [THz] =    1370.985125 [cm-1]
+ (  0.094238  -0.700799     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.581633   0.402123     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      22.018462 [THz] =     734.456837 [cm-1]
+ ( -0.000000  -0.000000     0.025124  -0.441131    -0.495513  -0.243391   )
+ ( -0.000000   0.000000    -0.539746  -0.421602    -0.175857   0.000000   )
+     freq (    2) =      22.018462 [THz] =     734.456837 [cm-1]
+ (  0.000000   0.000000    -0.462125   0.302014    -0.078743  -0.434773   )
+ (  0.000000  -0.000000     0.138589   0.108254    -0.684890   0.000000   )
+     freq (    3) =      32.078446 [THz] =    1070.021790 [cm-1]
+ ( -0.703965   0.066587     0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.207878   0.675860     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =      35.685369 [THz] =    1190.335798 [cm-1]
+ ( -0.000000  -0.000000    -0.214233  -0.474167    -0.458081   0.139398   )
+ ( -0.000000  -0.000000     0.705383   0.019282     0.045419   0.000000   )
+     freq (    5) =      35.685369 [THz] =    1190.335798 [cm-1]
+ (  0.000000   0.000000    -0.428481   0.213714    -0.170432  -0.491613   )
+ (  0.000000   0.000000    -0.045402  -0.001241     0.705647   0.000000   )
+     freq (    6) =      40.775514 [THz] =    1360.124732 [cm-1]
+ (  0.084133  -0.702084     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.616445   0.346405    -0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      22.716921 [THz] =     757.754903 [cm-1]
+ (  0.000000   0.000000    -0.428452   0.278171     0.009296  -0.488839   )
+ (  0.000000   0.000000     0.207446  -0.041786    -0.674700   0.000000   )
+     freq (    2) =      22.716921 [THz] =     757.754903 [cm-1]
+ ( -0.000000  -0.000000     0.366061   0.324113     0.494795  -0.126998   )
+ ( -0.000000  -0.000000     0.661415  -0.133229     0.211612   0.000000   )
+     freq (    3) =      33.447105 [THz] =    1115.675326 [cm-1]
+ ( -0.567520   0.421807     0.000000   0.000000     0.000000  -0.000000   )
+ (  0.225789   0.670089    -0.000000   0.000000     0.000000   0.000000   )
+     freq (    4) =      35.291439 [THz] =    1177.195707 [cm-1]
+ ( -0.000000  -0.000000     0.518365  -0.168427     0.139205   0.428429   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.707107   0.000000   )
+     freq (    5) =      35.291439 [THz] =    1177.195707 [cm-1]
+ ( -0.000000  -0.000000    -0.143209  -0.427108    -0.516766   0.173271   )
+ ( -0.000000   0.000000     0.707076  -0.006618     0.000000   0.000000   )
+     freq (    6) =      40.367008 [THz] =    1346.498459 [cm-1]
+ (  0.371978   0.601359    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.686874   0.167942     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      23.268205 [THz] =     776.143776 [cm-1]
+ (  0.000000  -0.000000    -0.403183  -0.206278    -0.533954  -0.098929   )
+ ( -0.000000  -0.000000    -0.577034  -0.014243    -0.408446   0.000000   )
+     freq (    2) =      23.268205 [THz] =     776.143776 [cm-1]
+ ( -0.000000   0.000000    -0.438869   0.319824     0.274561  -0.360170   )
+ (  0.000000   0.000000     0.408322   0.010079    -0.577210   0.000000   )
+     freq (    3) =      34.700752 [THz] =    1157.492481 [cm-1]
+ (  0.286242  -0.646580     0.000000  -0.000000    -0.000000  -0.000000   )
+ ( -0.561893  -0.429274     0.000000   0.000000    -0.000000   0.000000   )
+     freq (    4) =      34.970489 [THz] =    1166.489938 [cm-1]
+ ( -0.000000  -0.000000    -0.120085   0.346783     0.434344  -0.420318   )
+ ( -0.000000   0.000000    -0.605366   0.163230     0.326938   0.000000   )
+     freq (    5) =      34.970489 [THz] =    1166.489938 [cm-1]
+ ( -0.000000  -0.000000     0.604061   0.020773     0.321562   0.176851   )
+ ( -0.000000   0.000000    -0.315664   0.085115    -0.626986   0.000000   )
+     freq (    6) =      39.868734 [THz] =    1329.877815 [cm-1]
+ ( -0.311230   0.634930    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.544732  -0.450852    -0.000000  -0.000000    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      23.666615 [THz] =     789.433300 [cm-1]
+ (  0.000000  -0.000000     0.595083   0.039968     0.365675   0.102767   )
+ ( -0.000000  -0.000000     0.369683  -0.060375     0.599741   0.000000   )
+     freq (    2) =      23.666615 [THz] =     789.433300 [cm-1]
+ (  0.000000  -0.000000    -0.277922   0.258917     0.510602  -0.308231   )
+ ( -0.000000  -0.000000     0.591899  -0.096666    -0.374581   0.000000   )
+     freq (    3) =      34.733046 [THz] =    1158.569712 [cm-1]
+ (  0.000000   0.000000    -0.641703   0.126103     0.021234  -0.268075   )
+ (  0.000000  -0.000000    -0.067390   0.009711     0.703821   0.000000   )
+     freq (    4) =      34.733046 [THz] =    1158.569712 [cm-1]
+ (  0.000000   0.000000     0.137409   0.231158     0.631449  -0.170168   )
+ (  0.000000   0.000000    -0.696626   0.100385    -0.068086   0.000000   )
+     freq (    5) =      35.839449 [THz] =    1195.475330 [cm-1]
+ (  0.466299  -0.531569    -0.000000   0.000000     0.000000   0.000000   )
+ ( -0.452079  -0.543714    -0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    6) =      39.274372 [THz] =    1310.052036 [cm-1]
+ (  0.318687  -0.631220    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.573595   0.413508     0.000000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      23.907643 [THz] =     797.473122 [cm-1]
+ ( -0.000000  -0.000000     0.287003   0.097481     0.638441   0.022804   )
+ ( -0.000000   0.000000     0.645872   0.019955     0.287143   0.000000   )
+     freq (    2) =      23.907643 [THz] =     797.473122 [cm-1]
+ ( -0.000000   0.000000     0.630494  -0.102976    -0.272453   0.132828   )
+ (  0.000000  -0.000000    -0.287006  -0.008868     0.646180   0.000000   )
+     freq (    3) =      34.587161 [THz] =    1153.703503 [cm-1]
+ (  0.000000  -0.000000    -0.692715   0.054518    -0.010282  -0.130643   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.707107   0.000000   )
+     freq (    4) =      34.587161 [THz] =    1153.703503 [cm-1]
+ (  0.000000  -0.000000    -0.013652  -0.130334    -0.691077   0.072386   )
+ ( -0.000000  -0.000000     0.706871  -0.018258     0.000000   0.000000   )
+     freq (    5) =      36.864017 [THz] =    1229.651251 [cm-1]
+ ( -0.472555   0.526015     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.487317   0.512369     0.000000   0.000000     0.000000   0.000000   )
+     freq (    6) =      38.578374 [THz] =    1286.836029 [cm-1]
+ ( -0.415171  -0.572393    -0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.603202  -0.368982     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      23.988332 [THz] =     800.164610 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.707107  -0.000000   )
+ ( -0.000000  -0.000000    -0.707107  -0.000000     0.000000   0.000000   )
+     freq (    2) =      23.988332 [THz] =     800.164610 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000     0.000000   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    3) =      34.537945 [THz] =    1152.061845 [cm-1]
+ ( -0.000000   0.000000    -0.000000   0.000000     0.707107   0.000000   )
+ (  0.000000  -0.000000    -0.707107  -0.000000     0.000000   0.000000   )
+     freq (    4) =      34.537945 [THz] =    1152.061845 [cm-1]
+ (  0.000000  -0.000000    -0.707107   0.000000    -0.000000  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    5) =      37.776124 [THz] =    1260.075860 [cm-1]
+ (  0.312313  -0.011922    -0.000000  -0.000000     0.000000   0.000000   )
+ ( -0.938019  -0.149799    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    6) =      37.776124 [THz] =    1260.075860 [cm-1]
+ ( -0.949891  -0.004985     0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.306200  -0.062632     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0125      0.0125
+ **************************************************************************
+     freq (    1) =      23.986794 [THz] =     800.113309 [cm-1]
+ ( -0.000000   0.000000    -0.499615   0.019630     0.499615  -0.019630   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.009246 [THz] =     800.862239 [cm-1]
+ ( -0.000115  -0.002939     0.499610  -0.019630     0.499610  -0.019630   )
+ (  0.000000   0.002941     0.499996  -0.000000     0.499996   0.000000   )
+     freq (    3) =      34.527620 [THz] =    1151.717439 [cm-1]
+ (  0.001407   0.035804    -0.498973   0.019605    -0.498973   0.019605   )
+ (  0.000000   0.035832     0.499358  -0.000000     0.499358   0.000000   )
+     freq (    4) =      34.538835 [THz] =    1152.091512 [cm-1]
+ (  0.000000   0.000000     0.499615  -0.019630    -0.499615   0.019630   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.763721 [THz] =    1259.662136 [cm-1]
+ (  0.027761   0.706556     0.002078  -0.000082     0.002078  -0.000082   )
+ (  0.000000  -0.707101     0.002080   0.000000     0.002080  -0.000000   )
+     freq (    6) =      37.783602 [THz] =    1260.325294 [cm-1]
+ (  0.027725   0.705654     0.025318  -0.000995     0.025318  -0.000995   )
+ (  0.000000   0.706198    -0.025337   0.000000    -0.025337   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0250
+ **************************************************************************
+     freq (    1) =      23.982158 [THz] =     799.958690 [cm-1]
+ ( -0.000000  -0.000000    -0.498459   0.039230     0.498459  -0.039230   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.071766 [THz] =     802.947672 [cm-1]
+ ( -0.000461  -0.005862     0.498441  -0.039228     0.498441  -0.039228   )
+ ( -0.000000   0.005880     0.499983   0.000000     0.499983   0.000000   )
+     freq (    3) =      34.496947 [THz] =    1150.694289 [cm-1]
+ (  0.005550   0.070525    -0.495958   0.039033    -0.495958   0.039033   )
+ ( -0.000000   0.070743     0.497491   0.000000     0.497491   0.000000   )
+     freq (    4) =      34.541512 [THz] =    1152.180833 [cm-1]
+ ( -0.000000  -0.000000     0.498459  -0.039230    -0.498459   0.039230   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.726563 [THz] =    1258.422679 [cm-1]
+ (  0.055477   0.704903     0.004145  -0.000326     0.004145  -0.000326   )
+ (  0.000000  -0.707082     0.004158   0.000000     0.004158  -0.000000   )
+     freq (    6) =      37.805723 [THz] =    1261.063189 [cm-1]
+ (  0.055201   0.701390     0.049869  -0.003925     0.049869  -0.003925   )
+ (  0.000000   0.703559    -0.050023  -0.000000    -0.050023   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0375      0.0375
+ **************************************************************************
+     freq (    1) =      23.974361 [THz] =     799.698607 [cm-1]
+ ( -0.000000   0.000000    -0.496534   0.058769     0.496534  -0.058769   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.175227 [THz] =     806.398780 [cm-1]
+ ( -0.001036  -0.008755     0.496496  -0.058764     0.496496  -0.058764   )
+ ( -0.000000   0.008816     0.499961  -0.000000     0.499961   0.000000   )
+     freq (    3) =      34.446784 [THz] =    1149.021048 [cm-1]
+ (  0.012216   0.103212    -0.491141   0.058130    -0.491141   0.058130   )
+ ( -0.000000   0.103932     0.494570  -0.000000     0.494570   0.000000   )
+     freq (    4) =      34.546008 [THz] =    1152.330774 [cm-1]
+ ( -0.000000  -0.000000     0.496534  -0.058769    -0.496534   0.058769   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.664804 [THz] =    1256.362618 [cm-1]
+ (  0.083105   0.702151     0.006191  -0.000733     0.006191  -0.000733   )
+ (  0.000000  -0.707052     0.006234   0.000000     0.006234  -0.000000   )
+     freq (    6) =      37.841600 [THz] =    1262.259897 [cm-1]
+ (  0.082209   0.694579     0.072982  -0.008638     0.072982  -0.008638   )
+ (  0.000000   0.699427    -0.073491  -0.000000    -0.073491   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0500
+ **************************************************************************
+     freq (    1) =      23.963296 [THz] =     799.329515 [cm-1]
+ ( -0.000000  -0.000000    -0.493844   0.078217     0.493844  -0.078217   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.318548 [THz] =     811.179455 [cm-1]
+ ( -0.001837  -0.011602     0.493776  -0.078206     0.493776  -0.078206   )
+ (  0.000000   0.011746     0.499931   0.000000     0.499931   0.000000   )
+     freq (    3) =      34.378424 [THz] =    1146.740790 [cm-1]
+ ( -0.021088  -0.133145     0.484787  -0.076783     0.484787  -0.076783   )
+ (  0.000000  -0.134804    -0.490830  -0.000000    -0.490830   0.000000   )
+     freq (    4) =      34.552368 [THz] =    1152.542930 [cm-1]
+ ( -0.000000  -0.000000     0.493844  -0.078217    -0.493844   0.078217   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.578698 [THz] =    1253.490435 [cm-1]
+ ( -0.110601  -0.698305    -0.008204   0.001299    -0.008204   0.001299   )
+ ( -0.000000   0.707009    -0.008306   0.000000    -0.008306   0.000000   )
+     freq (    6) =      37.889890 [THz] =    1263.870698 [cm-1]
+ (  0.108587   0.685592     0.094147  -0.014911     0.094147  -0.014911   )
+ (  0.000000   0.694138    -0.095321  -0.000000    -0.095321   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0625      0.0625
+ **************************************************************************
+     freq (    1) =      23.948816 [THz] =     798.846521 [cm-1]
+ ( -0.000000  -0.000000    -0.490393   0.097545     0.490393  -0.097545   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.500260 [THz] =     817.240715 [cm-1]
+ ( -0.002862  -0.014387     0.490287  -0.097524     0.490287  -0.097524   )
+ (  0.000000   0.014669     0.499892   0.000000     0.499892   0.000000   )
+     freq (    3) =      34.293427 [THz] =    1143.905584 [cm-1]
+ (  0.031799   0.159864    -0.477186   0.094918    -0.477186   0.094918   )
+ (  0.000000   0.162996     0.486535  -0.000000     0.486535   0.000000   )
+     freq (    4) =      34.560660 [THz] =    1152.819514 [cm-1]
+ ( -0.000000  -0.000000     0.490393  -0.097545    -0.490393   0.097545   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.468597 [THz] =    1249.817873 [cm-1]
+ (  0.137920   0.693371     0.010173  -0.002024     0.010173  -0.002024   )
+ ( -0.000000  -0.706955     0.010372  -0.000000     0.010372  -0.000000   )
+     freq (    6) =      37.948967 [THz] =    1265.841269 [cm-1]
+ (  0.134235   0.674843     0.113041  -0.022485     0.113041  -0.022485   )
+ ( -0.000000   0.688064    -0.115255   0.000000    -0.115255   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0750
+ **************************************************************************
+     freq (    1) =      23.930736 [THz] =     798.243443 [cm-1]
+ (  0.000000  -0.000000    -0.486185   0.116723     0.486185  -0.116723   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.718552 [THz] =     824.522139 [cm-1]
+ ( -0.004104  -0.017096     0.486035  -0.116687     0.486035  -0.116687   )
+ ( -0.000000   0.017582     0.499845   0.000000     0.499845   0.000000   )
+     freq (    3) =      34.193464 [THz] =    1140.571177 [cm-1]
+ (  0.043971   0.183153    -0.468618   0.112505    -0.468618   0.112505   )
+ ( -0.000000   0.188358     0.481934   0.000000     0.481934   0.000000   )
+     freq (    4) =      34.570967 [THz] =    1153.163330 [cm-1]
+ (  0.000000   0.000000     0.486185  -0.116723    -0.486185   0.116723   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.334948 [THz] =    1245.359801 [cm-1]
+ (  0.165020   0.687357     0.012089  -0.002902     0.012089  -0.002902   )
+ (  0.000000  -0.706888     0.012432   0.000000     0.012432  -0.000000   )
+     freq (    6) =      38.017072 [THz] =    1268.113036 [cm-1]
+ (  0.159107   0.662727     0.129509  -0.031092     0.129509  -0.031092   )
+ (  0.000000   0.681558    -0.133189  -0.000000    -0.133189   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0875      0.0875
+ **************************************************************************
+     freq (    1) =      23.908835 [THz] =     797.512896 [cm-1]
+ (  0.000000   0.000000    -0.481228   0.135720     0.481228  -0.135720   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.971319 [THz] =     832.953554 [cm-1]
+ ( -0.005560  -0.019715     0.481026  -0.135663     0.481026  -0.135663   )
+ ( -0.000000   0.020484     0.499790   0.000000     0.499790   0.000000   )
+     freq (    3) =      34.080190 [THz] =    1136.792759 [cm-1]
+ (  0.057249   0.202990    -0.459323   0.129542    -0.459323   0.129542   )
+ (  0.000000   0.210909     0.477241  -0.000000     0.477241   0.000000   )
+     freq (    4) =      34.583391 [THz] =    1153.577749 [cm-1]
+ ( -0.000000  -0.000000     0.481228  -0.135720    -0.481228   0.135720   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.178284 [THz] =    1240.134051 [cm-1]
+ (  0.191857   0.680273     0.013941  -0.003932     0.013941  -0.003932   )
+ ( -0.000000  -0.706810     0.014485   0.000000     0.014485  -0.000000   )
+     freq (    6) =      38.092453 [THz] =    1270.627467 [cm-1]
+ (  0.183201   0.649581     0.143536  -0.040481     0.143536  -0.040481   )
+ ( -0.000000   0.674920    -0.149135   0.000000    -0.149135   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.1000
+ **************************************************************************
+     freq (    1) =      23.882858 [THz] =     796.646385 [cm-1]
+ (  0.000000  -0.000000    -0.475528   0.154508     0.475528  -0.154508   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      25.256221 [THz] =     842.456860 [cm-1]
+ ( -0.007223  -0.022230     0.475268  -0.154424     0.475268  -0.154424   )
+ ( -0.000000   0.023374     0.499727   0.000000     0.499727   0.000000   )
+     freq (    3) =      33.955157 [THz] =    1132.622133 [cm-1]
+ (  0.071314   0.219483    -0.449489   0.146048    -0.449489   0.146048   )
+ (  0.000000   0.230778     0.472621  -0.000000     0.472621   0.000000   )
+     freq (    4) =      34.598048 [THz] =    1154.066668 [cm-1]
+ ( -0.000000  -0.000000     0.475528  -0.154508    -0.475528   0.154508   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      36.999222 [THz] =    1234.161215 [cm-1]
+ (  0.218389   0.672131     0.015719  -0.005107     0.015719  -0.005107   )
+ (  0.000000  -0.706720     0.016528  -0.000000     0.016528  -0.000000   )
+     freq (    6) =      38.173442 [THz] =    1273.328963 [cm-1]
+ (  0.206543   0.635674     0.155198  -0.050427     0.155198  -0.050427   )
+ ( -0.000000   0.668387    -0.163185  -0.000000    -0.163185   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1125      0.1125
+ **************************************************************************
+     freq (    1) =      23.852520 [THz] =     795.634416 [cm-1]
+ (  0.000000   0.000000     0.469096  -0.173059    -0.469096   0.173059   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    2) =      25.570735 [THz] =     852.947914 [cm-1]
+ ( -0.009085  -0.024627     0.468772  -0.172939     0.468772  -0.172939   )
+ (  0.000000   0.026249     0.499655  -0.000000     0.499655   0.000000   )
+     freq (    3) =      33.819773 [THz] =    1128.106203 [cm-1]
+ ( -0.085892  -0.232821     0.439258  -0.162051     0.439258  -0.162051   )
+ (  0.000000  -0.248160    -0.468197  -0.000000    -0.468197   0.000000   )
+     freq (    4) =      34.615071 [THz] =    1154.634473 [cm-1]
+ (  0.000000  -0.000000     0.469096  -0.173059    -0.469096   0.173059   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      36.798457 [THz] =    1227.464413 [cm-1]
+ (  0.244573   0.662944     0.017414  -0.006424     0.017414  -0.006424   )
+ (  0.000000  -0.706619     0.018561  -0.000000     0.018561  -0.000000   )
+     freq (    6) =      38.258507 [THz] =    1276.166437 [cm-1]
+ (  0.229175   0.621205     0.164629  -0.060735     0.164629  -0.060735   )
+ ( -0.000000   0.662131    -0.175475  -0.000000    -0.175475   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.1250
+ **************************************************************************
+     freq (    1) =      23.817510 [THz] =     794.466612 [cm-1]
+ (  0.000000   0.000000     0.461940  -0.191342    -0.461940   0.191342   )
+ ( -0.000000  -0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    2) =      25.912212 [THz] =     864.338372 [cm-1]
+ ( -0.011140  -0.026894     0.461548  -0.191180     0.461548  -0.191180   )
+ (  0.000000   0.029109     0.499576  -0.000000     0.499576   0.000000   )
+     freq (    3) =      33.675280 [THz] =    1123.286425 [cm-1]
+ ( -0.100750  -0.243233     0.428727  -0.177585     0.428727  -0.177585   )
+ ( -0.000000  -0.263273    -0.464051   0.000000    -0.464051   0.000000   )
+     freq (    4) =      34.634603 [THz] =    1155.285991 [cm-1]
+ ( -0.000000  -0.000000     0.461940  -0.191342    -0.461940   0.191342   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      36.576750 [THz] =    1220.069043 [cm-1]
+ (  0.270369   0.652728     0.019017  -0.007877     0.019017  -0.007877   )
+ ( -0.000000  -0.706507     0.020584  -0.000000     0.020584  -0.000000   )
+     freq (    6) =      38.346271 [THz] =    1279.093935 [cm-1]
+ (  0.251143   0.606312     0.171992  -0.071241     0.171992  -0.071241   )
+ ( -0.000000   0.656268    -0.186162  -0.000000    -0.186162   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1375      0.1375
+ **************************************************************************
+     freq (    1) =      23.777495 [THz] =     793.131845 [cm-1]
+ (  0.000000   0.000000    -0.454072   0.209330     0.454072  -0.209330   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      26.277931 [THz] =     876.537439 [cm-1]
+ ( -0.013378  -0.029019     0.453608  -0.209116     0.453608  -0.209116   )
+ ( -0.000000   0.031954     0.499489   0.000000     0.499489   0.000000   )
+     freq (    3) =      33.522760 [THz] =    1118.198901 [cm-1]
+ (  0.115694   0.250959    -0.417960   0.192682    -0.417960   0.192682   )
+ ( -0.000000   0.276343     0.460236   0.000000     0.460236   0.000000   )
+     freq (    4) =      34.656801 [THz] =    1156.026435 [cm-1]
+ (  0.000000   0.000000     0.454072  -0.209330    -0.454072   0.209330   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      36.334920 [THz] =    1212.002487 [cm-1]
+ (  0.295735   0.641498     0.020519  -0.009459     0.020519  -0.009459   )
+ (  0.000000  -0.706384     0.022595  -0.000000     0.022595  -0.000000   )
+     freq (    6) =      38.435510 [THz] =    1282.070620 [cm-1]
+ (  0.272494   0.591085     0.177455  -0.081808     0.177455  -0.081808   )
+ (  0.000000   0.650872    -0.195404   0.000000    -0.195404   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.1500
+ **************************************************************************
+     freq (    1) =      23.732122 [THz] =     791.618369 [cm-1]
+ (  0.000000   0.000000    -0.445503   0.226995     0.445503  -0.226995   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      26.665144 [THz] =     889.453452 [cm-1]
+ ( -0.015791  -0.030991     0.444964  -0.226720     0.444964  -0.226720   )
+ (  0.000000   0.034782     0.499395   0.000000     0.499395   0.000000   )
+     freq (    3) =      33.363147 [THz] =    1112.874806 [cm-1]
+ ( -0.130558  -0.256235     0.406995  -0.207374     0.406995  -0.207374   )
+ ( -0.000000  -0.287579    -0.456781  -0.000000    -0.456781   0.000000   )
+     freq (    4) =      34.681831 [THz] =    1156.861344 [cm-1]
+ (  0.000000  -0.000000     0.445503  -0.226995    -0.445503   0.226995   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      36.073841 [THz] =    1203.293816 [cm-1]
+ (  0.320631   0.629274     0.021914  -0.011166     0.021914  -0.011166   )
+ ( -0.000000  -0.706251     0.024595  -0.000000     0.024595  -0.000000   )
+     freq (    6) =      38.525142 [THz] =    1285.060422 [cm-1]
+ (  0.293272   0.575578     0.181186  -0.092319     0.181186  -0.092319   )
+ ( -0.000000   0.645986    -0.203349  -0.000000    -0.203349   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1625      0.1625
+ **************************************************************************
+     freq (    1) =      23.681025 [THz] =     789.913959 [cm-1]
+ ( -0.000000   0.000000    -0.436248   0.244311     0.436248  -0.244311   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      27.071118 [THz] =     902.995285 [cm-1]
+ ( -0.018371  -0.032804     0.435631  -0.243965     0.435631  -0.243965   )
+ (  0.000000   0.037598     0.499293  -0.000000     0.499293   0.000000   )
+     freq (    3) =      33.197247 [THz] =    1107.340955 [cm-1]
+ (  0.145206   0.259284    -0.395851   0.221687    -0.395851   0.221687   )
+ (  0.000000   0.297175     0.453700  -0.000000     0.453700   0.000000   )
+     freq (    4) =      34.709867 [THz] =    1157.796523 [cm-1]
+ ( -0.000000  -0.000000     0.436248  -0.244311    -0.436248   0.244311   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      35.794424 [THz] =    1193.973468 [cm-1]
+ (  0.345019   0.616075     0.023196  -0.012990     0.023196  -0.012990   )
+ ( -0.000000  -0.706107     0.026585   0.000000     0.026585  -0.000000   )
+     freq (    6) =      38.614214 [THz] =    1288.031542 [cm-1]
+ (  0.313513   0.559818     0.183342  -0.102676     0.183342  -0.102676   )
+ ( -0.000000   0.641628    -0.210135   0.000000    -0.210135   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.1750
+ **************************************************************************
+     freq (    1) =      23.623827 [THz] =     788.006049 [cm-1]
+ ( -0.000000  -0.000000    -0.426320   0.261249     0.426320  -0.261249   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      27.493173 [THz] =     917.073533 [cm-1]
+ ( -0.021111  -0.034449     0.425624  -0.260822     0.425624  -0.260822   )
+ ( -0.000000   0.040403     0.499183  -0.000000     0.499183   0.000000   )
+     freq (    3) =      33.025748 [THz] =    1101.620389 [cm-1]
+ (  0.159519   0.260312    -0.384536   0.235644    -0.384536   0.235644   )
+ (  0.000000   0.305301     0.450994   0.000000     0.450994   0.000000   )
+     freq (    4) =      34.741088 [THz] =    1158.837971 [cm-1]
+ ( -0.000000   0.000000     0.426320  -0.261249    -0.426320   0.261249   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      35.497613 [THz] =    1184.072912 [cm-1]
+ (  0.368859   0.601923     0.024359  -0.014928     0.024359  -0.014928   )
+ (  0.000000  -0.705952     0.028569   0.000000     0.028569  -0.000000   )
+     freq (    6) =      38.701885 [THz] =    1290.955938 [cm-1]
+ (  0.333251   0.543815     0.184068  -0.112797     0.184068  -0.112797   )
+ (  0.000000   0.637802    -0.215881  -0.000000    -0.215881   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1875      0.1875
+ **************************************************************************
+     freq (    1) =      23.560146 [THz] =     785.881876 [cm-1]
+ ( -0.000000  -0.000000    -0.415735   0.277785     0.415735  -0.277785   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      27.928710 [THz] =     931.601502 [cm-1]
+ ( -0.024005  -0.035926     0.414958  -0.277266     0.414958  -0.277266   )
+ ( -0.000000   0.043208     0.499066  -0.000000     0.499066   0.000000   )
+     freq (    3) =      32.849246 [THz] =    1095.732913 [cm-1]
+ (  0.173397   0.259506    -0.373046   0.249262    -0.373046   0.249262   )
+ ( -0.000000   0.312106     0.448659  -0.000000     0.448659   0.000000   )
+     freq (    4) =      34.775679 [THz] =    1159.991807 [cm-1]
+ ( -0.000000  -0.000000     0.415735  -0.277785    -0.415735   0.277785   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      35.184372 [THz] =    1173.624312 [cm-1]
+ (  0.392113   0.586839     0.025404  -0.016974     0.025404  -0.016974   )
+ (  0.000000  -0.705785     0.030553  -0.000000     0.030553  -0.000000   )
+     freq (    6) =      38.787414 [THz] =    1293.808852 [cm-1]
+ (  0.352509   0.527567     0.183499  -0.122610     0.183499  -0.122610   )
+ (  0.000000   0.634500    -0.220692   0.000000    -0.220692   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.2000
+ **************************************************************************
+     freq (    1) =      23.489597 [THz] =     783.528616 [cm-1]
+ (  0.000000   0.000000    -0.404508   0.293893     0.404508  -0.293893   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      28.375236 [THz] =     946.495979 [cm-1]
+ ( -0.027054  -0.037237     0.403651  -0.293269     0.403651  -0.293269   )
+ (  0.000000   0.046027     0.498940  -0.000000     0.498940   0.000000   )
+     freq (    3) =      32.668251 [THz] =    1089.695551 [cm-1]
+ ( -0.186749  -0.257038     0.361376  -0.262555     0.361376  -0.262555   )
+ (  0.000000  -0.317716    -0.446686  -0.000000    -0.446686   0.000000   )
+     freq (    4) =      34.813825 [THz] =    1161.264193 [cm-1]
+ ( -0.000000  -0.000000    -0.404508   0.293893     0.404508  -0.293893   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      34.855675 [THz] =    1162.660182 [cm-1]
+ ( -0.414745  -0.570848    -0.026330   0.019130    -0.026330   0.019130   )
+ ( -0.000000   0.705607    -0.032546  -0.000000    -0.032546   0.000000   )
+     freq (    6) =      38.870143 [THz] =    1296.568411 [cm-1]
+ (  0.371309   0.511063     0.181753  -0.132052     0.181753  -0.132052   )
+ (  0.000000   0.631709    -0.224659   0.000000    -0.224659   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2125      0.2125
+ **************************************************************************
+     freq (    1) =      23.411798 [THz] =     780.933513 [cm-1]
+ (  0.000000   0.000000    -0.392658   0.309547     0.392658  -0.309547   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      28.830376 [THz] =     961.677815 [cm-1]
+ ( -0.030267  -0.038393     0.391719  -0.308806     0.391719  -0.308806   )
+ ( -0.000000   0.048888     0.498804   0.000000     0.498804   0.000000   )
+     freq (    3) =      32.483200 [THz] =    1083.522913 [cm-1]
+ (  0.199498   0.253062    -0.349514   0.275535    -0.349514   0.275535   )
+ (  0.000000   0.322243     0.445062  -0.000000     0.445062   0.000000   )
+     freq (    4) =      34.512499 [THz] =    1151.213053 [cm-1]
+ (  0.436718   0.553974     0.027148  -0.021402     0.027148  -0.021402   )
+ (  0.000000  -0.705415     0.034569   0.000000     0.034569   0.000000   )
+     freq (    5) =      34.855708 [THz] =    1162.661258 [cm-1]
+ ( -0.000000  -0.000000    -0.392658   0.309547     0.392658  -0.309547   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    6) =      38.949495 [THz] =    1299.215311 [cm-1]
+ ( -0.389665  -0.494288    -0.178942   0.141067    -0.178942   0.141067   )
+ ( -0.000000  -0.629412     0.227860  -0.000000     0.227860  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.2250
+ **************************************************************************
+     freq (    1) =      23.326372 [THz] =     778.084014 [cm-1]
+ ( -0.000000   0.000000    -0.380203   0.324724     0.380203  -0.324724   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      29.291892 [THz] =     977.072329 [cm-1]
+ ( -0.033669  -0.039421     0.379180  -0.323850     0.379180  -0.323850   )
+ ( -0.000000   0.051842     0.498654  -0.000000     0.498654   0.000000   )
+     freq (    3) =      32.294467 [THz] =    1077.227470 [cm-1]
+ ( -0.211575  -0.247722     0.337448  -0.288208     0.337448  -0.288208   )
+ ( -0.000000  -0.325777    -0.443773   0.000000    -0.443773   0.000000   )
+     freq (    4) =      34.155809 [THz] =    1139.315147 [cm-1]
+ (  0.457993   0.536241     0.027875  -0.023807     0.027875  -0.023807   )
+ (  0.000000  -0.705204     0.036658   0.000000     0.036658   0.000000   )
+     freq (    5) =      34.901508 [THz] =    1164.189005 [cm-1]
+ (  0.000000  -0.000000    -0.380203   0.324724     0.380203  -0.324724   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    6) =      39.024961 [THz] =    1301.732573 [cm-1]
+ ( -0.407587  -0.477223    -0.175166   0.149606    -0.175166   0.149606   )
+ (  0.000000  -0.627590     0.230359  -0.000000     0.230359  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2375      0.2375
+ **************************************************************************
+     freq (    1) =      23.232953 [THz] =     774.967878 [cm-1]
+ (  0.000000  -0.000000    -0.367161   0.339400     0.367161  -0.339400   )
+ ( -0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      29.757685 [THz] =     992.609542 [cm-1]
+ (  0.037326   0.040379    -0.366049   0.338373    -0.366049   0.338373   )
+ ( -0.000000  -0.054988    -0.498486  -0.000000    -0.498486   0.000000   )
+     freq (    3) =      32.102369 [THz] =    1070.819752 [cm-1]
+ (  0.222916   0.241149    -0.325163   0.300578    -0.325163   0.300578   )
+ (  0.000000   0.328397     0.442807  -0.000000     0.442807   0.000000   )
+     freq (    4) =      33.786553 [THz] =    1126.998087 [cm-1]
+ ( -0.478531  -0.517672    -0.028552   0.026393    -0.028552   0.026393   )
+ (  0.000000   0.704965    -0.038882   0.000000    -0.038882   0.000000   )
+     freq (    5) =      34.951401 [THz] =    1165.853237 [cm-1]
+ ( -0.000000   0.000000    -0.367161   0.339400     0.367161  -0.339400   )
+ (  0.000000  -0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    6) =      39.096096 [THz] =    1304.105377 [cm-1]
+ (  0.425081   0.459850     0.170518  -0.157625     0.170518  -0.157625   )
+ ( -0.000000   0.626223    -0.232212  -0.000000    -0.232212   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.2500
+ **************************************************************************
+     freq (    1) =      23.131185 [THz] =     771.573296 [cm-1]
+ (  0.000000   0.000000     0.353553  -0.353553    -0.353553   0.353553   )
+ (  0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    2) =      30.225802 [THz] =    1008.224219 [cm-1]
+ ( -0.041396  -0.041396     0.352340  -0.352340     0.352340  -0.352340   )
+ (  0.000000   0.058542     0.498283   0.000000     0.498283   0.000000   )
+     freq (    3) =      31.907165 [THz] =    1064.308465 [cm-1]
+ (  0.233465   0.233465    -0.312645   0.312645    -0.312645   0.312645   )
+ ( -0.000000   0.330169     0.442147   0.000000     0.442147   0.000000   )
+     freq (    4) =      33.405654 [THz] =    1114.292682 [cm-1]
+ (  0.498283   0.498283     0.029271  -0.029271     0.029271  -0.029271   )
+ (  0.000000  -0.704679     0.041396   0.000000     0.041396   0.000000   )
+     freq (    5) =      35.005550 [THz] =    1167.659464 [cm-1]
+ (  0.000000  -0.000000    -0.353553   0.353553     0.353553  -0.353553   )
+ ( -0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    6) =      39.162517 [THz] =    1306.320948 [cm-1]
+ ( -0.442147  -0.442147    -0.165085   0.165085    -0.165085   0.165085   )
+ ( -0.000000  -0.625290     0.233465   0.000000     0.233465   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.2750
+ **************************************************************************
+     freq (    1) =      22.901274 [THz] =     763.904267 [cm-1]
+ (  0.000000   0.000000    -0.324724   0.380203     0.324724  -0.380203   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      31.161804 [THz] =    1039.445912 [cm-1]
+ ( -0.053548  -0.045734     0.323110  -0.378313     0.323110  -0.378313   )
+ (  0.000000   0.070420     0.497514  -0.000000     0.497514   0.000000   )
+     freq (    3) =      31.508224 [THz] =    1051.001224 [cm-1]
+ ( -0.251987  -0.215217     0.286856  -0.335865     0.286856  -0.335865   )
+ ( -0.000000  -0.331385    -0.441692   0.000000    -0.441692   0.000000   )
+     freq (    4) =      32.612540 [THz] =    1087.837230 [cm-1]
+ ( -0.535015  -0.456946    -0.032339   0.037864    -0.032339   0.037864   )
+ (  0.000000   0.703592    -0.049794  -0.000000    -0.049794   0.000000   )
+     freq (    5) =      35.127222 [THz] =    1171.717991 [cm-1]
+ (  0.000000   0.000000    -0.324724   0.380203     0.324724  -0.380203   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    6) =      39.279983 [THz] =    1310.239205 [cm-1]
+ ( -0.474986  -0.405676    -0.152181   0.178182    -0.152181   0.178182   )
+ (  0.000000  -0.624647     0.234324  -0.000000     0.234324   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.3000
+ **************************************************************************
+     freq (    1) =      22.634165 [THz] =     754.994486 [cm-1]
+ (  0.000000  -0.000000    -0.293893   0.404508     0.293893  -0.404508   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      31.098672 [THz] =    1037.340024 [cm-1]
+ ( -0.266787  -0.193832     0.259976  -0.357826     0.259976  -0.357826   )
+ ( -0.000000  -0.329767    -0.442297   0.000000    -0.442297   0.000000   )
+     freq (    3) =      31.778878 [THz] =    1060.029272 [cm-1]
+ ( -0.572027  -0.415602     0.003211  -0.004420     0.003211  -0.004420   )
+ ( -0.000000   0.707065     0.005463   0.000000     0.005463   0.000000   )
+     freq (    4) =      32.091251 [THz] =    1070.448924 [cm-1]
+ (  0.006250   0.004541     0.293875  -0.404484     0.293875  -0.404484   )
+ ( -0.000000  -0.007726     0.499970   0.000000     0.499970   0.000000   )
+     freq (    5) =      35.267575 [THz] =    1176.399672 [cm-1]
+ ( -0.000000  -0.000000    -0.293893   0.404508     0.293893  -0.404508   )
+ (  0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    6) =      39.375482 [THz] =    1313.424693 [cm-1]
+ (  0.506042   0.367661     0.137060  -0.188647     0.137060  -0.188647   )
+ (  0.000000   0.625503    -0.233181   0.000000    -0.233181   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.3250
+ **************************************************************************
+     freq (    1) =      22.327749 [THz] =     744.773534 [cm-1]
+ (  0.000000   0.000000     0.261249  -0.426320    -0.261249   0.426320   )
+ (  0.000000   0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =      30.678634 [THz] =    1023.329081 [cm-1]
+ (  0.277586   0.170105    -0.231912   0.378446    -0.231912   0.378446   )
+ ( -0.000000   0.325561     0.443852  -0.000000     0.443852   0.000000   )
+     freq (    3) =      30.919769 [THz] =    1031.372487 [cm-1]
+ ( -0.601226  -0.368432    -0.019497   0.031816    -0.019497   0.031816   )
+ ( -0.000000   0.705135    -0.037315   0.000000    -0.037315   0.000000   )
+     freq (    4) =      32.994055 [THz] =    1100.563203 [cm-1]
+ ( -0.044995  -0.027573     0.260521  -0.425131     0.260521  -0.425131   )
+ (  0.000000   0.052771     0.498606   0.000000     0.498606   0.000000   )
+     freq (    5) =      35.427366 [THz] =    1181.729725 [cm-1]
+ (  0.000000   0.000000     0.261249  -0.426320    -0.261249   0.426320   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      39.448100 [THz] =    1315.846993 [cm-1]
+ (  0.535204   0.327973     0.120283  -0.196283     0.120283  -0.196283   )
+ (  0.000000   0.627702    -0.230206   0.000000    -0.230206   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.3500
+ **************************************************************************
+     freq (    1) =      21.980318 [THz] =     733.184503 [cm-1]
+ (  0.000000   0.000000    -0.226995   0.445503     0.226995  -0.445503   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      30.031539 [THz] =    1001.744297 [cm-1]
+ ( -0.627761  -0.319860    -0.019275   0.037830    -0.019275   0.037830   )
+ ( -0.000000   0.704553    -0.042458  -0.000000    -0.042458   0.000000   )
+     freq (    3) =      30.247233 [THz] =    1008.939092 [cm-1]
+ (  0.284177   0.144795    -0.202593   0.397611    -0.202593   0.397611   )
+ ( -0.000000   0.318939     0.446250   0.000000     0.446250   0.000000   )
+     freq (    4) =      33.869786 [THz] =    1129.774445 [cm-1]
+ ( -0.053500  -0.027260     0.226175  -0.443894     0.226175  -0.443894   )
+ ( -0.000000   0.060044     0.498194   0.000000     0.498194   0.000000   )
+     freq (    5) =      35.606987 [THz] =    1187.721247 [cm-1]
+ ( -0.000000  -0.000000    -0.226995   0.445503     0.226995  -0.445503   )
+ (  0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    6) =      39.497942 [THz] =    1317.509526 [cm-1]
+ ( -0.562307  -0.286510    -0.102386   0.200944    -0.102386   0.200944   )
+ (  0.000000  -0.631092     0.225524   0.000000     0.225524   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.3750
+ **************************************************************************
+     freq (    1) =      21.590595 [THz] =     720.184732 [cm-1]
+ (  0.000000   0.000000    -0.191342   0.461940     0.191342  -0.461940   )
+ (  0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      29.119525 [THz] =     971.322817 [cm-1]
+ ( -0.650615  -0.269493    -0.017272   0.041698    -0.017272   0.041698   )
+ ( -0.000000   0.704220    -0.045134   0.000000    -0.045134   0.000000   )
+     freq (    3) =      29.802457 [THz] =     994.102948 [cm-1]
+ (  0.286435   0.118645    -0.171969   0.415170    -0.171969   0.415170   )
+ ( -0.000000   0.310035     0.449376   0.000000     0.449376   0.000000   )
+     freq (    4) =      34.709558 [THz] =    1157.786228 [cm-1]
+ ( -0.058970  -0.024426     0.190561  -0.460054     0.190561  -0.460054   )
+ (  0.000000   0.063828     0.497959  -0.000000     0.497959   0.000000   )
+     freq (    5) =      35.806413 [THz] =    1194.373389 [cm-1]
+ (  0.000000   0.000000     0.191342  -0.461940    -0.191342   0.461940   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      39.526178 [THz] =    1318.451367 [cm-1]
+ ( -0.587138  -0.243201    -0.083895   0.202540    -0.083895   0.202540   )
+ ( -0.000000  -0.635514     0.219228  -0.000000     0.219228   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.4000
+ **************************************************************************
+     freq (    1) =      21.157728 [THz] =     705.745839 [cm-1]
+ ( -0.000000   0.000000    -0.154508   0.475528     0.154508  -0.475528   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      28.185921 [THz] =     940.181116 [cm-1]
+ ( -0.669545  -0.217548    -0.014464   0.044515    -0.014464   0.044515   )
+ ( -0.000000   0.704002    -0.046806  -0.000000    -0.046806   0.000000   )
+     freq (    3) =      29.341038 [THz] =     978.711672 [cm-1]
+ (  0.284331   0.092385    -0.140019   0.430935    -0.140019   0.430935   )
+ ( -0.000000   0.298964     0.453112   0.000000     0.453112   0.000000   )
+     freq (    4) =      35.507933 [THz] =    1184.417142 [cm-1]
+ ( -0.062954  -0.020455     0.153830  -0.473440     0.153830  -0.473440   )
+ (  0.000000   0.066194     0.497804  -0.000000     0.497804   0.000000   )
+     freq (    5) =      36.025163 [THz] =    1201.670076 [cm-1]
+ (  0.000000   0.000000     0.154508  -0.475528    -0.154508   0.475528   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      39.535084 [THz] =    1318.748468 [cm-1]
+ ( -0.609434  -0.198017    -0.065326   0.201053    -0.065326   0.201053   )
+ ( -0.000000  -0.640797     0.211399  -0.000000     0.211399   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.4250
+ **************************************************************************
+     freq (    1) =      20.681277 [THz] =     689.853143 [cm-1]
+ (  0.000000  -0.000000     0.116723  -0.486185    -0.116723   0.486185   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000  -0.000000   )
+     freq (    2) =      27.231785 [THz] =     908.354560 [cm-1]
+ ( -0.684421  -0.164315    -0.011158   0.046477    -0.011158   0.046477   )
+ ( -0.000000   0.703868    -0.047797  -0.000000    -0.047797   0.000000   )
+     freq (    3) =      28.858373 [THz] =     962.611693 [cm-1]
+ ( -0.277950  -0.066730     0.106760  -0.444688     0.106760  -0.444688   )
+ (  0.000000  -0.285848    -0.457324  -0.000000    -0.457324   0.000000   )
+     freq (    4) =      36.260729 [THz] =    1209.527741 [cm-1]
+ ( -0.065728  -0.015780     0.116188  -0.483958     0.116188  -0.483958   )
+ (  0.000000   0.067596     0.497710  -0.000000     0.497710   0.000000   )
+     freq (    5) =      36.262277 [THz] =    1209.579356 [cm-1]
+ ( -0.000000  -0.000000    -0.116723   0.486185     0.116723  -0.486185   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    6) =      39.528039 [THz] =    1318.513444 [cm-1]
+ ( -0.628884  -0.150982    -0.047185   0.196540    -0.047185   0.196540   )
+ (  0.000000  -0.646754     0.202125  -0.000000     0.202125   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.4500
+ **************************************************************************
+     freq (    1) =      20.161181 [THz] =     672.504607 [cm-1]
+ ( -0.000000   0.000000     0.078217  -0.493844    -0.078217   0.493844   )
+ (  0.000000  -0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =      26.257249 [THz] =     875.847540 [cm-1]
+ ( -0.695146  -0.110100    -0.007543   0.047627    -0.007543   0.047627   )
+ (  0.000000   0.703811    -0.048220   0.000000    -0.048220   0.000000   )
+     freq (    3) =      28.348514 [THz] =     945.604652 [cm-1]
+ ( -0.267505  -0.042369     0.072252  -0.456183     0.072252  -0.456183   )
+ ( -0.000000  -0.270839    -0.461869  -0.000000    -0.461869   0.000000   )
+     freq (    4) =      36.516323 [THz] =    1218.053431 [cm-1]
+ (  0.000000   0.000000    -0.078217   0.493844     0.078217  -0.493844   )
+ (  0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      36.964747 [THz] =    1233.011247 [cm-1]
+ (  0.067354   0.010668    -0.077853   0.491542    -0.077853   0.491542   )
+ (  0.000000  -0.068194    -0.497669  -0.000000    -0.497669   0.000000   )
+     freq (    6) =      39.509440 [THz] =    1317.893052 [cm-1]
+ (  0.645140   0.102180     0.029959  -0.189154     0.029959  -0.189154   )
+ ( -0.000000   0.653182    -0.191512   0.000000    -0.191512   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.4750
+ **************************************************************************
+     freq (    1) =      19.597716 [THz] =     653.709426 [cm-1]
+ ( -0.000000  -0.000000     0.039230  -0.498459    -0.039230   0.498459   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000  -0.000000   )
+     freq (    2) =      25.261724 [THz] =     842.640405 [cm-1]
+ ( -0.701653  -0.055221    -0.003776   0.047982    -0.003776   0.047982   )
+ ( -0.000000   0.703823    -0.048130  -0.000000    -0.048130   0.000000   )
+     freq (    3) =      27.804277 [THz] =     927.450836 [cm-1]
+ ( -0.253357  -0.019940     0.036608  -0.465152     0.036608  -0.465152   )
+ (  0.000000  -0.254141    -0.466590   0.000000    -0.466590   0.000000   )
+     freq (    4) =      36.785416 [THz] =    1227.029392 [cm-1]
+ ( -0.000000  -0.000000     0.039230  -0.498459    -0.039230   0.498459   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      37.617568 [THz] =    1254.787016 [cm-1]
+ (  0.067857   0.005340    -0.039047   0.496144    -0.039047   0.496144   )
+ ( -0.000000  -0.068067    -0.497678   0.000000    -0.497678   0.000000   )
+     freq (    6) =      39.484543 [THz] =    1317.062571 [cm-1]
+ ( -0.657824  -0.051772    -0.014099   0.179151    -0.014099   0.179151   )
+ (  0.000000  -0.659858     0.179705   0.000000     0.179705   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =      18.991445 [THz] =     633.486408 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.500000    -0.000000  -0.500000   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      24.244139 [THz] =     808.697417 [cm-1]
+ ( -0.703899   0.000000     0.000000   0.047569     0.000000   0.047569   )
+ (  0.000000   0.703899    -0.047569   0.000000    -0.047569   0.000000   )
+     freq (    3) =      27.217468 [THz] =     907.877012 [cm-1]
+ (  0.236021   0.000000     0.000000   0.471325     0.000000   0.471325   )
+ (  0.000000   0.236021     0.471325  -0.000000     0.471325   0.000000   )
+     freq (    4) =      37.067257 [THz] =    1236.430597 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.500000     0.000000  -0.500000   )
+ ( -0.000000  -0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    5) =      38.217412 [THz] =    1274.795629 [cm-1]
+ (  0.067273   0.000000     0.000000   0.497732     0.000000   0.497732   )
+ ( -0.000000  -0.067273    -0.497732   0.000000    -0.497732   0.000000   )
+     freq (    6) =      39.459181 [THz] =    1316.216609 [cm-1]
+ ( -0.666554   0.000000     0.000000   0.166892     0.000000   0.166892   )
+ ( -0.000000  -0.666554     0.166892   0.000000     0.166892   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =      18.343170 [THz] =     611.862295 [cm-1]
+ (  0.000000  -0.000000     0.039230   0.498459    -0.039230  -0.498459   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      23.203195 [THz] =     773.975280 [cm-1]
+ ( -0.701862   0.055238     0.003654   0.046431     0.003654   0.046431   )
+ (  0.000000   0.704032    -0.046574   0.000000    -0.046574   0.000000   )
+     freq (    3) =      26.579262 [THz] =     886.588758 [cm-1]
+ ( -0.216150   0.017011    -0.037340  -0.474448    -0.037340  -0.474448   )
+ (  0.000000  -0.216819    -0.475915  -0.000000    -0.475915   0.000000   )
+     freq (    4) =      37.359196 [THz] =    1246.168635 [cm-1]
+ ( -0.000000   0.000000     0.039230   0.498459    -0.039230  -0.498459   )
+ ( -0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      38.763029 [THz] =    1292.995482 [cm-1]
+ ( -0.065663   0.005168    -0.039059  -0.496291    -0.039059  -0.496291   )
+ ( -0.000000   0.065866     0.497826   0.000000     0.497826   0.000000   )
+     freq (    6) =      39.439390 [THz] =    1315.556444 [cm-1]
+ (  0.670970  -0.052807    -0.012029  -0.152841    -0.012029  -0.152841   )
+ ( -0.000000   0.673045    -0.153314  -0.000000    -0.153314   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =      17.653883 [THz] =     588.870142 [cm-1]
+ (  0.000000  -0.000000     0.078217   0.493844    -0.078217  -0.493844   )
+ ( -0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      22.137624 [THz] =     738.431662 [cm-1]
+ (  0.695543  -0.110163    -0.007069  -0.044631    -0.007069  -0.044631   )
+ (  0.000000  -0.704213     0.045187   0.000000     0.045187   0.000000   )
+     freq (    3) =      25.880677 [THz] =     863.286473 [cm-1]
+ ( -0.194511   0.030808    -0.075122  -0.474304    -0.075122  -0.474304   )
+ (  0.000000  -0.196936    -0.480217  -0.000000    -0.480217   0.000000   )
+     freq (    4) =      37.658302 [THz] =    1256.145753 [cm-1]
+ ( -0.000000  -0.000000     0.078217   0.493844    -0.078217  -0.493844   )
+ (  0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      39.253650 [THz] =    1309.360822 [cm-1]
+ ( -0.063118   0.009997    -0.077897  -0.491823    -0.077897  -0.491823   )
+ ( -0.000000   0.063904     0.497954   0.000000     0.497954   0.000000   )
+     freq (    6) =      39.430948 [THz] =    1315.274856 [cm-1]
+ ( -0.670768   0.106239     0.021784   0.137540     0.021784   0.137540   )
+ (  0.000000  -0.679129     0.139255  -0.000000     0.139255   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =      16.924720 [THz] =     564.547882 [cm-1]
+ (  0.000000  -0.000000    -0.116723  -0.486185     0.116723   0.486185   )
+ ( -0.000000   0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =      21.046422 [THz] =     702.033077 [cm-1]
+ ( -0.684968   0.164446     0.010144   0.042252     0.010144   0.042252   )
+ ( -0.000000   0.704431    -0.043453  -0.000000    -0.043453   0.000000   )
+     freq (    3) =      25.113113 [THz] =     837.683272 [cm-1]
+ ( -0.171932   0.041277    -0.113015  -0.470739    -0.113015  -0.470739   )
+ (  0.000000  -0.176817    -0.484116   0.000000    -0.484116   0.000000   )
+     freq (    4) =      37.961448 [THz] =    1266.257596 [cm-1]
+ (  0.000000  -0.000000     0.116723   0.486185    -0.116723  -0.486185   )
+ (  0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      39.438905 [THz] =    1315.540260 [cm-1]
+ (  0.665726  -0.159827    -0.029187  -0.121574    -0.029187  -0.121574   )
+ (  0.000000   0.684643    -0.125029   0.000000    -0.125029   0.000000   )
+     freq (    6) =      39.688958 [THz] =    1323.881147 [cm-1]
+ (  0.059754  -0.014346     0.116281   0.484345     0.116281   0.484345   )
+ ( -0.000000  -0.061452    -0.498108  -0.000000    -0.498108   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =      16.156929 [THz] =     538.937152 [cm-1]
+ (  0.000000  -0.000000     0.154508   0.475528    -0.154508  -0.475528   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      19.929051 [THz] =     664.761577 [cm-1]
+ (  0.670187  -0.217757    -0.012799  -0.039392    -0.012799  -0.039392   )
+ ( -0.000000  -0.704676     0.041420  -0.000000     0.041420   0.000000   )
+     freq (    3) =      24.268870 [THz] =     809.522375 [cm-1]
+ (  0.149236  -0.048490     0.150656   0.463672     0.150656   0.463672   )
+ (  0.000000   0.156916     0.487533   0.000000     0.487533   0.000000   )
+     freq (    4) =      38.265393 [THz] =    1276.396128 [cm-1]
+ (  0.000000   0.000000     0.154508   0.475528    -0.154508  -0.475528   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      39.467151 [THz] =    1316.482464 [cm-1]
+ (  0.655731  -0.213060    -0.034287  -0.105526    -0.034287  -0.105526   )
+ ( -0.000000   0.689476    -0.110956  -0.000000    -0.110956   0.000000   )
+     freq (    6) =      40.069114 [THz] =    1336.561792 [cm-1]
+ (  0.055709  -0.018101     0.153977   0.473894     0.153977   0.473894   )
+ (  0.000000  -0.058576    -0.498281   0.000000    -0.498281   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =      15.351846 [THz] =     512.082453 [cm-1]
+ (  0.000000   0.000000    -0.191342  -0.461940     0.191342   0.461940   )
+ (  0.000000  -0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =      18.785588 [THz] =     626.619750 [cm-1]
+ (  0.651277  -0.269768    -0.014977  -0.036158    -0.014977  -0.036158   )
+ ( -0.000000  -0.704937     0.039137  -0.000000     0.039137   0.000000   )
+     freq (    3) =      23.341590 [THz] =     778.591629 [cm-1]
+ ( -0.127179   0.052679    -0.187681  -0.453102    -0.187681  -0.453102   )
+ ( -0.000000  -0.137658    -0.490434  -0.000000    -0.490434   0.000000   )
+     freq (    4) =      38.566877 [THz] =    1286.452551 [cm-1]
+ ( -0.000000   0.000000    -0.191342  -0.461940     0.191342   0.461940   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      39.518110 [THz] =    1318.182251 [cm-1]
+ (  0.640782  -0.265421    -0.037250  -0.089929    -0.037250  -0.089929   )
+ (  0.000000   0.693578    -0.097339   0.000000    -0.097339   0.000000   )
+     freq (    6) =      40.394800 [THz] =    1347.425484 [cm-1]
+ (  0.051135  -0.021181     0.190755   0.460522     0.190755   0.460522   )
+ ( -0.000000  -0.055349    -0.498466   0.000000    -0.498466   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =      14.510874 [THz] =     484.030661 [cm-1]
+ (  0.000000   0.000000     0.226995   0.445503    -0.226995  -0.445503   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =      17.616815 [THz] =     587.633702 [cm-1]
+ (  0.628341  -0.320156    -0.016642  -0.032661    -0.016642  -0.032661   )
+ (  0.000000  -0.705204     0.036656   0.000000     0.036656   0.000000   )
+     freq (    3) =      22.326549 [THz] =     744.733508 [cm-1]
+ (  0.106395  -0.054211     0.223735   0.439105     0.223735   0.439105   )
+ ( -0.000000   0.119410     0.492819   0.000000     0.492819   0.000000   )
+     freq (    4) =      38.862699 [THz] =    1296.320089 [cm-1]
+ ( -0.000000  -0.000000    -0.226995  -0.445503     0.226995   0.445503   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      39.592577 [THz] =    1320.666225 [cm-1]
+ ( -0.620988   0.316409     0.038333   0.075233     0.038333   0.075233   )
+ (  0.000000  -0.696951     0.084436   0.000000     0.084436   0.000000   )
+     freq (    6) =      40.667283 [THz] =    1356.514552 [cm-1]
+ ( -0.046190   0.023535    -0.226384  -0.444304    -0.226384  -0.444304   )
+ ( -0.000000   0.051840     0.498654  -0.000000     0.498654   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =      13.635487 [THz] =     454.830903 [cm-1]
+ ( -0.000000  -0.000000     0.261249   0.426320    -0.261249  -0.426320   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      16.424244 [THz] =     547.853820 [cm-1]
+ (  0.601510  -0.368606    -0.017779  -0.029012    -0.017779  -0.029012   )
+ ( -0.000000  -0.705468     0.034026  -0.000000     0.034026   0.000000   )
+     freq (    3) =      21.220812 [THz] =     707.850084 [cm-1]
+ (  0.087356  -0.053532     0.258492   0.421821     0.258492   0.421821   )
+ ( -0.000000   0.102454     0.494724   0.000000     0.494724   0.000000   )
+     freq (    4) =      39.149792 [THz] =    1305.896509 [cm-1]
+ (  0.000000   0.000000     0.261249   0.426320    -0.261249  -0.426320   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      39.689739 [THz] =    1323.907192 [cm-1]
+ (  0.596545  -0.365564    -0.037853  -0.061770    -0.037853  -0.061770   )
+ ( -0.000000   0.699645    -0.072446  -0.000000    -0.072446   0.000000   )
+     freq (    6) =      40.888496 [THz] =    1363.893405 [cm-1]
+ (  0.041029  -0.025143     0.260644   0.425332     0.260644   0.425332   )
+ (  0.000000  -0.048120    -0.498841   0.000000    -0.498841   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =      12.727231 [THz] =     424.534743 [cm-1]
+ (  0.000000   0.000000    -0.293893  -0.404508     0.293893   0.404508   )
+ (  0.000000   0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =      15.210070 [THz] =     507.353311 [cm-1]
+ (  0.570940  -0.414812    -0.018393  -0.025316    -0.018393  -0.025316   )
+ ( -0.000000  -0.705721     0.031292  -0.000000     0.031292   0.000000   )
+     freq (    3) =      20.023244 [THz] =     667.903524 [cm-1]
+ (  0.070367  -0.051124     0.291661   0.401437     0.291661   0.401437   )
+ (  0.000000   0.086978     0.496203  -0.000000     0.496203   0.000000   )
+     freq (    4) =      39.425294 [THz] =    1315.086249 [cm-1]
+ ( -0.000000  -0.000000     0.293893   0.404508    -0.293893  -0.404508   )
+ (  0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      39.807319 [THz] =    1327.829248 [cm-1]
+ (  0.567717  -0.412471    -0.036150  -0.049757    -0.036150  -0.049757   )
+ (  0.000000   0.701737    -0.061503   0.000000    -0.061503   0.000000   )
+     freq (    6) =      41.061099 [THz] =    1369.650848 [cm-1]
+ ( -0.035802   0.026012    -0.293316  -0.403716    -0.293316  -0.403716   )
+ (  0.000000   0.044254     0.499020   0.000000     0.499020   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =      11.787739 [THz] =     393.196641 [cm-1]
+ (  0.000000   0.000000     0.324724   0.380203    -0.324724  -0.380203   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      13.977065 [THz] =     466.224688 [cm-1]
+ (  0.536814  -0.458483    -0.018508  -0.021670    -0.018508  -0.021670   )
+ (  0.000000  -0.705957     0.028498   0.000000     0.028498   0.000000   )
+     freq (    3) =      18.734432 [THz] =     624.913378 [cm-1]
+ ( -0.055570   0.047461    -0.322985  -0.378167    -0.322985  -0.378167   )
+ (  0.000000  -0.073079    -0.497323   0.000000    -0.497323   0.000000   )
+     freq (    4) =      39.686589 [THz] =    1323.802105 [cm-1]
+ ( -0.000000  -0.000000     0.324724   0.380203    -0.324724  -0.380203   )
+ (  0.000000  -0.000000    -0.500000   0.000000     0.500000   0.000000   )
+     freq (    5) =      39.941832 [THz] =    1332.316105 [cm-1]
+ (  0.534809  -0.456770    -0.033560  -0.039294    -0.033560  -0.039294   )
+ (  0.000000   0.703320    -0.051675   0.000000    -0.051675   0.000000   )
+     freq (    6) =      41.188538 [THz] =    1373.901739 [cm-1]
+ ( -0.030646   0.026174    -0.324196  -0.379585    -0.324196  -0.379585   )
+ (  0.000000   0.040302     0.499187   0.000000     0.499187   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =      10.818748 [THz] =     360.874593 [cm-1]
+ ( -0.000000  -0.000000     0.353553   0.353553    -0.353553  -0.353553   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      12.728424 [THz] =     424.574524 [cm-1]
+ (  0.499340  -0.499340    -0.018158  -0.018158    -0.018158  -0.018158   )
+ ( -0.000000  -0.706174     0.025680  -0.000000     0.025680   0.000000   )
+     freq (    3) =      17.356545 [THz] =     578.952037 [cm-1]
+ (  0.042973  -0.042973     0.352245   0.352245     0.352245   0.352245   )
+ (  0.000000   0.060773     0.498150   0.000000     0.498150   0.000000   )
+     freq (    4) =      39.931348 [THz] =    1331.966411 [cm-1]
+ (  0.000000   0.000000     0.353553   0.353553    -0.353553  -0.353553   )
+ ( -0.000000   0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      40.088879 [THz] =    1337.221052 [cm-1]
+ ( -0.498150   0.498150     0.030387   0.030387     0.030387   0.030387   )
+ (  0.000000  -0.704490     0.042973   0.000000     0.042973   0.000000   )
+     freq (    6) =      41.275052 [THz] =    1376.787534 [cm-1]
+ ( -0.025680   0.025680    -0.353087  -0.353087    -0.353087  -0.353087   )
+ ( -0.000000   0.036317     0.499340  -0.000000     0.499340   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =       9.822126 [THz] =     327.630864 [cm-1]
+ (  0.000000  -0.000000     0.380203   0.324724    -0.380203  -0.324724   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      11.467570 [THz] =     382.516966 [cm-1]
+ (  0.458748  -0.537125    -0.017390  -0.014853    -0.017390  -0.014853   )
+ (  0.000000  -0.706367     0.022870  -0.000000     0.022870   0.000000   )
+     freq (    3) =      15.893184 [THz] =     530.139543 [cm-1]
+ (  0.032480  -0.038030     0.379251   0.323911     0.379251   0.323911   )
+ ( -0.000000   0.050012     0.498748  -0.000000     0.498748   0.000000   )
+     freq (    4) =      40.157551 [THz] =    1339.511700 [cm-1]
+ (  0.000000   0.000000     0.380203   0.324724    -0.380203  -0.324724   )
+ ( -0.000000  -0.000000    -0.500000  -0.000000     0.500000   0.000000   )
+     freq (    5) =      40.243456 [THz] =    1342.377200 [cm-1]
+ ( -0.458079   0.536342     0.026891   0.022967     0.026891   0.022967   )
+ (  0.000000  -0.705336     0.035364   0.000000     0.035364   0.000000   )
+     freq (    6) =      41.325649 [THz] =    1378.475273 [cm-1]
+ ( -0.021005   0.024593    -0.379805  -0.324384    -0.379805  -0.324384   )
+ ( -0.000000   0.032342     0.499477  -0.000000     0.499477   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =       8.799889 [THz] =     293.532715 [cm-1]
+ (  0.000000   0.000000     0.404508   0.293893    -0.404508  -0.293893   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =      10.197937 [THz] =     340.166563 [cm-1]
+ (  0.415291  -0.571599    -0.016255  -0.011810    -0.016255  -0.011810   )
+ (  0.000000  -0.706536     0.020092   0.000000     0.020092   0.000000   )
+     freq (    3) =      14.349221 [THz] =     478.638493 [cm-1]
+ (  0.023922  -0.032925     0.403838   0.293405     0.403838   0.293405   )
+ ( -0.000000   0.040698     0.499171  -0.000000     0.499171   0.000000   )
+     freq (    4) =      40.363483 [THz] =    1346.380876 [cm-1]
+ (  0.000000   0.000000    -0.404508  -0.293893     0.404508   0.293893   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    5) =      40.400245 [THz] =    1347.607129 [cm-1]
+ ( -0.414938   0.571113     0.023282   0.016915     0.023282   0.016915   )
+ ( -0.000000  -0.705935     0.028778  -0.000000     0.028778   0.000000   )
+     freq (    6) =      41.346018 [THz] =    1379.154712 [cm-1]
+ (  0.016702  -0.022988     0.404182   0.293655     0.404182   0.293655   )
+ ( -0.000000  -0.028415    -0.499596  -0.000000    -0.499596   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       7.754223 [THz] =     258.653039 [cm-1]
+ ( -0.000000  -0.000000     0.426320   0.261249    -0.426320  -0.261249   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =       8.922755 [THz] =     297.631059 [cm-1]
+ (  0.369239  -0.602544    -0.014807  -0.009074    -0.014807  -0.009074   )
+ ( -0.000000  -0.706680     0.017367  -0.000000     0.017367   0.000000   )
+     freq (    3) =      12.730668 [THz] =     424.649360 [cm-1]
+ (  0.017086  -0.027881     0.425864   0.260970     0.425864   0.260970   )
+ ( -0.000000   0.032700     0.499465  -0.000000     0.499465   0.000000   )
+     freq (    4) =      40.547737 [THz] =    1352.526927 [cm-1]
+ ( -0.000000  -0.000000    -0.426320  -0.261249     0.426320   0.261249   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    5) =      40.553869 [THz] =    1352.731465 [cm-1]
+ ( -0.369067   0.602263     0.019715   0.012081     0.019715   0.012081   )
+ (  0.000000  -0.706350     0.023122   0.000000     0.023122   0.000000   )
+     freq (    6) =      41.342381 [THz] =    1379.033394 [cm-1]
+ (  0.012833  -0.020941     0.426063   0.261092     0.426063   0.261092   )
+ (  0.000000  -0.024560    -0.499698  -0.000000    -0.499698   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       6.687494 [THz] =     223.070804 [cm-1]
+ ( -0.000000   0.000000     0.445503   0.226995    -0.445503  -0.226995   )
+ (  0.000000   0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    2) =       7.644852 [THz] =     255.004807 [cm-1]
+ ( -0.320881   0.629764     0.013102   0.006676     0.013102   0.006676   )
+ ( -0.000000   0.706801    -0.014705  -0.000000    -0.014705   0.000000   )
+     freq (    3) =      11.044543 [THz] =     368.406287 [cm-1]
+ (  0.011743  -0.023047     0.445205   0.226843     0.445205   0.226843   )
+ ( -0.000000   0.025867     0.499665   0.000000     0.499665   0.000000   )
+     freq (    4) =      40.699112 [THz] =    1357.576249 [cm-1]
+ (  0.320805  -0.629615    -0.016297  -0.008304    -0.016297  -0.008304   )
+ (  0.000000   0.706634    -0.018290   0.000000    -0.018290   0.000000   )
+     freq (    5) =      40.709186 [THz] =    1357.912265 [cm-1]
+ (  0.000000   0.000000    -0.445503  -0.226995     0.445503   0.226995   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.321285 [THz] =    1378.329692 [cm-1]
+ (  0.009441  -0.018529     0.445311   0.226897     0.445311   0.226897   )
+ (  0.000000  -0.020796    -0.499784  -0.000000    -0.499784   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       5.602259 [THz] =     186.871261 [cm-1]
+ ( -0.000000  -0.000000     0.461940   0.191342    -0.461940  -0.191342   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    2) =       6.366495 [THz] =     212.363423 [cm-1]
+ ( -0.270519   0.653090     0.011191   0.004635     0.011191   0.004635   )
+ (  0.000000   0.706899    -0.012113   0.000000    -0.012113   0.000000   )
+     freq (    3) =       9.298759 [THz] =     310.173209 [cm-1]
+ (  0.007667  -0.018510     0.461754   0.191265     0.461754   0.191265   )
+ (  0.000000   0.020035     0.499799   0.000000     0.499799   0.000000   )
+     freq (    4) =      40.831107 [THz] =    1361.979120 [cm-1]
+ (  0.270489  -0.653019    -0.013088  -0.005421    -0.013088  -0.005421   )
+ (  0.000000   0.706823    -0.014167   0.000000    -0.014167   0.000000   )
+     freq (    5) =      40.846955 [THz] =    1362.507766 [cm-1]
+ (  0.000000   0.000000    -0.461940  -0.191342     0.461940   0.191342   )
+ ( -0.000000  -0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.289337 [THz] =    1377.264044 [cm-1]
+ (  0.006555  -0.015826     0.461804   0.191286     0.461804   0.191286   )
+ (  0.000000  -0.017130    -0.499853   0.000000    -0.499853   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       4.501259 [THz] =     150.145851 [cm-1]
+ ( -0.000000  -0.000000    -0.475528  -0.154508     0.475528   0.154508   )
+ ( -0.000000  -0.000000    -0.500000  -0.000000     0.500000  -0.000000   )
+     freq (    2) =       5.089283 [THz] =     169.760211 [cm-1]
+ (  0.218468  -0.672375    -0.009121  -0.002963    -0.009121  -0.002963   )
+ (  0.000000  -0.706977     0.009590   0.000000     0.009590   0.000000   )
+     freq (    3) =       7.502010 [THz] =     250.240104 [cm-1]
+ (  0.004646  -0.014300     0.475421   0.154474     0.475421   0.154474   )
+ ( -0.000000   0.015036     0.499887   0.000000     0.499887   0.000000   )
+     freq (    4) =      40.945488 [THz] =    1365.794451 [cm-1]
+ ( -0.218459   0.672346     0.010112   0.003285     0.010112   0.003285   )
+ (  0.000000  -0.706947     0.010632   0.000000     0.010632   0.000000   )
+     freq (    5) =      40.960393 [THz] =    1366.291639 [cm-1]
+ ( -0.000000  -0.000000    -0.475528  -0.154508     0.475528   0.154508   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.252906 [THz] =    1376.048837 [cm-1]
+ (  0.004191  -0.012898     0.475441   0.154480     0.475441   0.154480   )
+ ( -0.000000  -0.013562    -0.499908   0.000000    -0.499908   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       3.387409 [THz] =     112.991800 [cm-1]
+ (  0.000000   0.000000    -0.486185  -0.116723     0.486185   0.116723   )
+ (  0.000000   0.000000    -0.500000  -0.000000     0.500000  -0.000000   )
+     freq (    2) =       3.814102 [THz] =     127.224743 [cm-1]
+ (  0.165054  -0.687499    -0.006933  -0.001664    -0.006933  -0.001664   )
+ ( -0.000000  -0.707035     0.007130  -0.000000     0.007130   0.000000   )
+     freq (    3) =       5.663655 [THz] =     188.919195 [cm-1]
+ (  0.002498  -0.010405     0.486129   0.116709     0.486129   0.116709   )
+ (  0.000000   0.010701     0.499943   0.000000     0.499943   0.000000   )
+     freq (    4) =      41.038516 [THz] =    1368.897538 [cm-1]
+ ( -0.165052   0.687491     0.007357   0.001766     0.007357   0.001766   )
+ ( -0.000000  -0.707026     0.007566  -0.000000     0.007566   0.000000   )
+     freq (    5) =      41.049028 [THz] =    1369.248200 [cm-1]
+ (  0.000000   0.000000    -0.486185  -0.116723     0.486185   0.116723   )
+ ( -0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.217794 [THz] =    1374.877611 [cm-1]
+ (  0.002354  -0.009805     0.486136   0.116711     0.486136   0.116711   )
+ (  0.000000  -0.010083    -0.499949   0.000000    -0.499949   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       2.263775 [THz] =      75.511409 [cm-1]
+ (  0.000000   0.000000    -0.493844  -0.078217     0.493844   0.078217   )
+ (  0.000000   0.000000    -0.500000   0.000000     0.500000  -0.000000   )
+     freq (    2) =       2.541155 [THz] =      84.763793 [cm-1]
+ (  0.110611  -0.698370    -0.004664  -0.000739    -0.004664  -0.000739   )
+ ( -0.000000  -0.707075     0.004722  -0.000000     0.004722   0.000000   )
+     freq (    3) =       3.793603 [THz] =     126.540960 [cm-1]
+ (  0.001073  -0.006776     0.493821   0.078214     0.493821   0.078214   )
+ (  0.000000   0.006860     0.499976  -0.000000     0.499976   0.000000   )
+     freq (    4) =      41.107181 [THz] =    1371.187960 [cm-1]
+ ( -0.110611   0.698368     0.004791   0.000759     0.004791   0.000759   )
+ (  0.000000  -0.707074     0.004851   0.000000     0.004851   0.000000   )
+     freq (    5) =      41.112540 [THz] =    1371.366707 [cm-1]
+ ( -0.000000  -0.000000    -0.493844  -0.078217     0.493844   0.078217   )
+ (  0.000000  -0.000000     0.500000   0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.188918 [THz] =    1373.914409 [cm-1]
+ (  0.001045  -0.006596     0.493822   0.078214     0.493822   0.078214   )
+ ( -0.000000  -0.006678    -0.499978  -0.000000    -0.499978   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       1.133547 [THz] =      37.811061 [cm-1]
+ (  0.000000   0.000000    -0.498459  -0.039230     0.498459   0.039230   )
+ (  0.000000   0.000000    -0.500000  -0.000000     0.500000  -0.000000   )
+     freq (    2) =       1.270058 [THz] =      42.364576 [cm-1]
+ (  0.055478  -0.704919    -0.002344  -0.000184    -0.002344  -0.000184   )
+ ( -0.000000  -0.707099     0.002352  -0.000000     0.002352   0.000000   )
+     freq (    3) =       1.902180 [THz] =      63.449891 [cm-1]
+ (  0.000263  -0.003338     0.498453   0.039229     0.498453   0.039229   )
+ (  0.000000   0.003348     0.499994   0.000000     0.499994   0.000000   )
+     freq (    4) =      41.149277 [THz] =    1372.592152 [cm-1]
+ ( -0.055478   0.704919     0.002360   0.000186     0.002360   0.000186   )
+ (  0.000000  -0.707099     0.002368   0.000000     0.002368   0.000000   )
+     freq (    5) =      41.150721 [THz] =    1372.640309 [cm-1]
+ ( -0.000000  -0.000000    -0.498459  -0.039230     0.498459   0.039230   )
+ (  0.000000   0.000000     0.500000  -0.000000    -0.500000   0.000000   )
+     freq (    6) =      41.170025 [THz] =    1373.284197 [cm-1]
+ (  0.000261  -0.003315     0.498453   0.039229     0.498453   0.039229   )
+ ( -0.000000  -0.003326    -0.499994   0.000000    -0.499994   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      1.0000      1.0000
+ **************************************************************************
+     freq (    1) =       0.000001 [THz] =       0.000024 [cm-1]
+ (  0.635117  -0.000000    -0.309377  -0.000000     0.030195  -0.000000   )
+ (  0.635117  -0.000000    -0.309377   0.000000     0.030195  -0.000000   )
+     freq (    2) =       0.000001 [THz] =       0.000036 [cm-1]
+ (  0.036124   0.000000     0.005237  -0.000000    -0.706164  -0.000000   )
+ (  0.036124  -0.000000     0.005237   0.000000    -0.706164   0.000000   )
+     freq (    3) =       0.000001 [THz] =       0.000045 [cm-1]
+ (  0.308741  -0.000000     0.635813   0.000000     0.020509   0.000000   )
+ (  0.308741  -0.000000     0.635813   0.000000     0.020509   0.000000   )
+     freq (    4) =      41.163460 [THz] =    1373.065242 [cm-1]
+ (  0.684172   0.000000     0.178632   0.000000    -0.000000  -0.000000   )
+ ( -0.684172  -0.000000    -0.178632   0.000000    -0.000000   0.000000   )
+     freq (    5) =      41.163460 [THz] =    1373.065242 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.707107  -0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.707107   0.000000   )
+     freq (    6) =      41.163460 [THz] =    1373.065242 [cm-1]
+ (  0.178632   0.000000    -0.684172  -0.000000     0.000000  -0.000000   )
+ ( -0.178632  -0.000000     0.684172  -0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.9750      0.9750
+ **************************************************************************
+     freq (    1) =       1.444661 [THz] =      48.188711 [cm-1]
+ (  0.559718  -0.007516     0.401989  -0.012642     0.157729   0.005126   )
+ (  0.559178  -0.025692     0.401366  -0.025692     0.157812  -0.000000   )
+     freq (    2) =       1.444661 [THz] =      48.188711 [cm-1]
+ (  0.140896   0.011883    -0.414175  -0.006155     0.555070   0.018039   )
+ (  0.141208   0.007301    -0.414156   0.007301     0.555364   0.000000   )
+     freq (    3) =       2.364917 [THz] =      78.885147 [cm-1]
+ ( -0.407685  -0.021444     0.407685   0.021444     0.407685   0.021444   )
+ ( -0.408248  -0.000000     0.408248  -0.000000     0.408248   0.000000   )
+     freq (    4) =      41.143645 [THz] =    1372.404273 [cm-1]
+ (  0.451641   0.010276     0.537065   0.013052    -0.085424  -0.002776   )
+ ( -0.451737   0.004399    -0.537206   0.004399     0.085469   0.000000   )
+     freq (    5) =      41.143645 [THz] =    1372.404273 [cm-1]
+ ( -0.359342  -0.011019     0.211346   0.007527    -0.570688  -0.018546   )
+ (  0.359510  -0.000658    -0.211479  -0.000658     0.570989   0.000000   )
+     freq (    6) =      41.172563 [THz] =    1373.368880 [cm-1]
+ (  0.407685   0.021444    -0.407685  -0.021444    -0.407685  -0.021444   )
+ ( -0.408248   0.000000     0.408248  -0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.9500      0.9500
+ **************************************************************************
+     freq (    1) =       2.878043 [THz] =      96.001166 [cm-1]
+ (  0.522539  -0.053640     0.466529  -0.057236     0.056010   0.003597   )
+ (  0.518028  -0.087014     0.461903  -0.087014     0.056125  -0.000000   )
+     freq (    2) =       2.878043 [THz] =      96.001166 [cm-1]
+ ( -0.238414  -0.023826     0.335021   0.012996    -0.573435  -0.036822   )
+ ( -0.239451  -0.008499     0.335165  -0.008499    -0.574616   0.000000   )
+     freq (    3) =       4.719617 [THz] =     157.429482 [cm-1]
+ (  0.405997   0.042817    -0.405997  -0.042817    -0.405997  -0.042817   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      41.084648 [THz] =    1370.436350 [cm-1]
+ ( -0.150991  -0.021010     0.406098   0.014763    -0.557088  -0.035772   )
+ (  0.152027   0.011291    -0.406209   0.011291     0.558236   0.000000   )
+     freq (    5) =      41.084648 [THz] =    1370.436350 [cm-1]
+ (  0.556815  -0.007114     0.409788  -0.016555     0.147027   0.009441   )
+ ( -0.555215   0.042781    -0.407885   0.042781    -0.147330   0.000000   )
+     freq (    6) =      41.198630 [THz] =    1374.238383 [cm-1]
+ (  0.405997   0.042817    -0.405997  -0.042817    -0.405997  -0.042817   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.9250      0.9250
+ **************************************************************************
+     freq (    1) =       4.288863 [THz] =     143.061055 [cm-1]
+ (  0.246638   0.024553    -0.326324  -0.029511     0.572962   0.054064   )
+ (  0.247854   0.001275    -0.327653   0.001275     0.575507   0.000000   )
+     freq (    2) =       4.288863 [THz] =     143.061055 [cm-1]
+ ( -0.520388  -0.033115    -0.474496  -0.028785    -0.045892  -0.004330   )
+ ( -0.521197   0.015918    -0.475102   0.015918    -0.046095   0.000000   )
+     freq (    3) =       7.053921 [THz] =     235.293493 [cm-1]
+ ( -0.403193  -0.064047     0.403193   0.064047     0.403193   0.064047   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248  -0.000000   )
+     freq (    4) =      40.987848 [THz] =    1367.207460 [cm-1]
+ ( -0.354952   0.010121    -0.571423  -0.010305     0.216471   0.020426   )
+ (  0.352431  -0.043421     0.569864  -0.043421    -0.217433   0.000000   )
+     freq (    5) =      40.987848 [THz] =    1367.207460 [cm-1]
+ (  0.454541   0.025159    -0.077936  -0.025085     0.532477   0.050244   )
+ ( -0.454894   0.017652     0.079948   0.017652    -0.534842   0.000000   )
+     freq (    6) =      41.238052 [THz] =    1375.553350 [cm-1]
+ ( -0.403193  -0.064047     0.403193   0.064047     0.403193   0.064047   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.9000      0.9000
+ **************************************************************************
+     freq (    1) =       5.665853 [THz] =     188.992503 [cm-1]
+ ( -0.212621   0.028246    -0.569589  -0.015356     0.356968   0.043602   )
+ ( -0.207628   0.053817    -0.567249   0.053817     0.359621   0.000000   )
+     freq (    2) =       5.665853 [THz] =     188.992503 [cm-1]
+ (  0.535568   0.022250     0.087229  -0.032513     0.448338   0.054763   )
+ (  0.534314  -0.042849     0.082644  -0.042849     0.451671   0.000000   )
+     freq (    3) =       9.357730 [THz] =     312.140278 [cm-1]
+ ( -0.399291  -0.085048     0.399291   0.085048     0.399291   0.085048   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+     freq (    4) =      40.855637 [THz] =    1362.797347 [cm-1]
+ ( -0.343739  -0.037532     0.225310   0.031975    -0.569049  -0.069507   )
+ (  0.345754  -0.004422    -0.227524  -0.004422     0.573278   0.000000   )
+     freq (    5) =      40.855637 [THz] =    1362.797347 [cm-1]
+ (  0.461955   0.019118     0.529901   0.027418    -0.067945  -0.008299   )
+ ( -0.460865   0.037032    -0.529316   0.037032     0.068450   0.000000   )
+     freq (    6) =      41.285179 [THz] =    1377.125323 [cm-1]
+ ( -0.399291  -0.085048     0.399291   0.085048     0.399291   0.085048   )
+ (  0.408248   0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.8750      0.8750
+ **************************************************************************
+     freq (    1) =       6.997805 [THz] =     233.421657 [cm-1]
+ (  0.560307  -0.044433     0.383813  -0.070340     0.176494   0.025908   )
+ (  0.547913  -0.125337     0.369528  -0.125337     0.178386  -0.000000   )
+     freq (    2) =       6.997805 [THz] =     233.421657 [cm-1]
+ (  0.118282   0.058517    -0.424997  -0.021231     0.543279   0.079748   )
+ (  0.125527   0.040718    -0.423574   0.040718     0.549101   0.000000   )
+     freq (    3) =      11.621062 [THz] =     387.636891 [cm-1]
+ (  0.394322   0.105722    -0.394322  -0.105722    -0.394322  -0.105722   )
+ (  0.408248   0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+     freq (    4) =      40.691521 [THz] =    1357.323050 [cm-1]
+ ( -0.560303  -0.016186    -0.398920   0.007503    -0.161383  -0.023689   )
+ (  0.556713  -0.065360     0.393601  -0.065360     0.163112   0.000000   )
+     freq (    5) =      40.691521 [THz] =    1357.323050 [cm-1]
+ ( -0.132726  -0.038939     0.415232   0.041496    -0.547958  -0.080435   )
+ (  0.136974   0.019250    -0.416857   0.019250     0.553830   0.000000   )
+     freq (    6) =      41.332813 [THz] =    1378.714236 [cm-1]
+ (  0.394322   0.105722    -0.394322  -0.105722    -0.394322  -0.105722   )
+ ( -0.408248  -0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.8500      0.8500
+ **************************************************************************
+     freq (    1) =       8.273671 [THz] =     275.979955 [cm-1]
+ (  0.099359   0.058722    -0.436489  -0.031051     0.535848   0.089773   )
+ (  0.107696   0.041498    -0.435620   0.041498     0.543316   0.000000   )
+     freq (    2) =       8.273671 [THz] =     275.979955 [cm-1]
+ ( -0.565255   0.022357    -0.372643   0.054626    -0.192612  -0.032269   )
+ ( -0.553791   0.115448    -0.358495   0.115448    -0.195297   0.000000   )
+     freq (    3) =      13.834095 [THz] =     461.455746 [cm-1]
+ (  0.388334   0.125950    -0.388334  -0.125950    -0.388334  -0.125950   )
+ (  0.408248  -0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+     freq (    4) =      40.500216 [THz] =    1350.941778 [cm-1]
+ (  0.391999  -0.261437     0.459088  -0.250197    -0.067089  -0.011240   )
+ ( -0.343413   0.322614    -0.411437   0.322614     0.068024   0.000000   )
+     freq (    5) =      40.500216 [THz] =    1350.941778 [cm-1]
+ ( -0.333214  -0.017014     0.232235   0.077718    -0.565448  -0.094732   )
+ (  0.331445  -0.038277    -0.241884  -0.038277     0.573329   0.000000   )
+     freq (    6) =      41.372801 [THz] =    1380.048085 [cm-1]
+ (  0.388334   0.125950    -0.388334  -0.125950    -0.388334  -0.125950   )
+ ( -0.408248   0.000000     0.408248  -0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.8250      0.8250
+ **************************************************************************
+     freq (    1) =       9.482724 [THz] =     316.309628 [cm-1]
+ ( -0.064807  -0.500789     0.041444  -0.481272    -0.106251  -0.019517   )
+ ( -0.154217  -0.480840    -0.046188  -0.480840    -0.108029   0.000000   )
+     freq (    2) =       9.482724 [THz] =     316.309628 [cm-1]
+ (  0.276685  -0.042296    -0.281135  -0.144763     0.557821   0.102467   )
+ (  0.264491  -0.091588    -0.302663  -0.091588     0.567154   0.000000   )
+     freq (    3) =      15.987214 [THz] =     533.276056 [cm-1]
+ (  0.381406   0.145589    -0.381406  -0.145589    -0.381406  -0.145589   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      40.287652 [THz] =    1343.851423 [cm-1]
+ (  0.437486  -0.021495     0.544364  -0.001862    -0.106878  -0.019633   )
+ ( -0.426403   0.100181    -0.535070   0.100181     0.108666   0.000000   )
+     freq (    5) =      40.287652 [THz] =    1343.851423 [cm-1]
+ ( -0.372932  -0.048984     0.184769   0.053460    -0.557701  -0.102445   )
+ (  0.375645  -0.019199    -0.191387  -0.019199     0.567032   0.000000   )
+     freq (    6) =      41.396642 [THz] =    1380.843357 [cm-1]
+ (  0.381406   0.145589    -0.381406  -0.145589    -0.381406  -0.145589   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.8000      0.8000
+ **************************************************************************
+     freq (    1) =      10.614810 [THz] =     354.071962 [cm-1]
+ (  0.540731   0.105608     0.123615   0.024402     0.417117   0.081206   )
+ (  0.550948   0.000330     0.126000   0.000330     0.424948  -0.000000   )
+     freq (    2) =      10.614810 [THz] =     354.071962 [cm-1]
+ ( -0.169348  -0.033335    -0.552981  -0.108022     0.383633   0.074687   )
+ ( -0.172597  -0.000359    -0.563433  -0.000359     0.390836   0.000000   )
+     freq (    3) =      18.071048 [THz] =     602.785291 [cm-1]
+ ( -0.373655  -0.164464     0.373655   0.164464     0.373655   0.164464   )
+ ( -0.408248  -0.000000     0.408248   0.000000     0.408248   0.000000   )
+     freq (    4) =      40.060878 [THz] =    1336.287059 [cm-1]
+ ( -0.426457   0.277283    -0.401182   0.282203    -0.025275  -0.004921   )
+ (  0.365610  -0.353667     0.339860  -0.353667     0.025750   0.000000   )
+     freq (    5) =      40.060878 [THz] =    1336.287059 [cm-1]
+ ( -0.264599  -0.067599     0.301548   0.042621    -0.566146  -0.110220   )
+ (  0.272640   0.015789    -0.304135   0.015789     0.576776   0.000000   )
+     freq (    6) =      41.396060 [THz] =    1380.823945 [cm-1]
+ (  0.373655   0.164464    -0.373655  -0.164464    -0.373655  -0.164464   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.7750      0.7750
+ **************************************************************************
+     freq (    1) =      11.660684 [THz] =     388.958545 [cm-1]
+ (  0.449512   0.124653     0.509827   0.136723    -0.060316  -0.012070   )
+ (  0.465233   0.034022     0.526744   0.034022    -0.061512   0.000000   )
+     freq (    2) =      11.660684 [THz] =     388.958545 [cm-1]
+ (  0.332849   0.070327    -0.230054  -0.042321     0.562903   0.112648   )
+ (  0.340178   0.003646    -0.233886   0.003646     0.574064   0.000000   )
+     freq (    3) =      20.076515 [THz] =     669.680461 [cm-1]
+ ( -0.365258  -0.182356     0.365258   0.182356     0.365258   0.182356   )
+ ( -0.408248  -0.000000     0.408248   0.000000     0.408248   0.000000   )
+     freq (    4) =      39.827791 [THz] =    1328.512115 [cm-1]
+ ( -0.272841  -0.056952     0.293168   0.056317    -0.566008  -0.113269   )
+ (  0.278712   0.002306    -0.298519   0.002306     0.577231   0.000000   )
+     freq (    5) =      39.827791 [THz] =    1328.512115 [cm-1]
+ ( -0.505410   0.014449    -0.493897   0.016753    -0.011513  -0.002304   )
+ (  0.492748  -0.113344     0.481007  -0.113344     0.011741   0.000000   )
+     freq (    6) =      41.363473 [THz] =    1379.736959 [cm-1]
+ (  0.365258   0.182356    -0.365258  -0.182356    -0.365258  -0.182356   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.7500      0.7500
+ **************************************************************************
+     freq (    1) =      12.612427 [THz] =     420.705274 [cm-1]
+ ( -0.128265  -0.480246    -0.140550  -0.482701     0.012285   0.002455   )
+ ( -0.219888  -0.445800    -0.232416  -0.445800     0.012527   0.000000   )
+     freq (    2) =      12.612427 [THz] =     420.705274 [cm-1]
+ (  0.285929   0.067005    -0.280094  -0.046106     0.566023   0.113112   )
+ (  0.293515   0.009675    -0.283699   0.009675     0.577214   0.000000   )
+     freq (    3) =      21.994840 [THz] =     733.668880 [cm-1]
+ ( -0.356468  -0.198990     0.356468   0.198990     0.356468   0.198990   )
+ ( -0.408248  -0.000000     0.408248   0.000000     0.408248   0.000000   )
+     freq (    4) =      39.596700 [THz] =    1320.803753 [cm-1]
+ ( -0.286626  -0.051464     0.279486   0.061665    -0.566113  -0.113130   )
+ (  0.291154  -0.005701    -0.286151  -0.005701     0.577306   0.000000   )
+     freq (    5) =      39.596700 [THz] =    1320.803753 [cm-1]
+ (  0.283181  -0.410291     0.290231  -0.408882    -0.007049  -0.001409   )
+ ( -0.197290   0.457828    -0.204479   0.457828     0.007189   0.000000   )
+     freq (    6) =      41.292355 [THz] =    1377.364712 [cm-1]
+ (  0.356468   0.198990    -0.356468  -0.198990    -0.356468  -0.198990   )
+ ( -0.408248  -0.000000     0.408248  -0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.7250      0.7250
+ **************************************************************************
+     freq (    1) =      13.463921 [THz] =     449.108068 [cm-1]
+ (  0.327680   0.083176     0.559794   0.128195    -0.232114  -0.045019   )
+ (  0.337522   0.019262     0.573962   0.019262    -0.236440   0.000000   )
+     freq (    2) =      13.463921 [THz] =     449.108068 [cm-1]
+ ( -0.457731  -0.097586     0.059349   0.002703    -0.517080  -0.100289   )
+ ( -0.467938  -0.008647     0.058778  -0.008647    -0.526716   0.000000   )
+     freq (    3) =      23.817541 [THz] =     794.467656 [cm-1]
+ ( -0.347657  -0.214012     0.347657   0.214012     0.347657   0.214012   )
+ ( -0.408248   0.000000     0.408248  -0.000000     0.408248   0.000000   )
+     freq (    4) =      39.375736 [THz] =    1313.433160 [cm-1]
+ ( -0.012650   0.170362    -0.483896   0.078963     0.471246   0.091400   )
+ ( -0.020019  -0.169654     0.460008  -0.169654    -0.480028   0.000000   )
+     freq (    5) =      39.375736 [THz] =    1313.433160 [cm-1]
+ ( -0.528974   0.156003    -0.214051   0.217083    -0.314922  -0.061080   )
+ (  0.489592  -0.253868     0.168802  -0.253868     0.320791   0.000000   )
+     freq (    6) =      41.177492 [THz] =    1373.533301 [cm-1]
+ (  0.347657   0.214012    -0.347657  -0.214012    -0.347657  -0.214012   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.7000      0.7000
+ **************************************************************************
+     freq (    1) =      14.211305 [THz] =     474.038117 [cm-1]
+ (  0.148300  -0.092701     0.549887  -0.019258    -0.401588  -0.073443   )
+ (  0.129203  -0.117867     0.537452  -0.117867    -0.408248   0.000000   )
+     freq (    2) =      14.211305 [THz] =     474.038117 [cm-1]
+ ( -0.549887   0.019258    -0.148300   0.092701    -0.401588  -0.073443   )
+ ( -0.537452   0.117867    -0.129203   0.117867    -0.408248   0.000000   )
+     freq (    3) =      25.536336 [THz] =     851.800469 [cm-1]
+ (  0.339360   0.226939    -0.339360  -0.226939    -0.339360  -0.226939   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      39.172171 [THz] =    1306.642981 [cm-1]
+ ( -0.291972  -0.090780     0.274137   0.012751    -0.566109  -0.103531   )
+ (  0.303540   0.036773    -0.271958   0.036773     0.575498   0.000000   )
+     freq (    5) =      39.172171 [THz] =    1306.642981 [cm-1]
+ (  0.088326   0.481709     0.133783   0.490022    -0.045458  -0.008313   )
+ ( -0.173543  -0.457960    -0.219754  -0.457960     0.046212   0.000000   )
+     freq (    6) =      41.015190 [THz] =    1368.119487 [cm-1]
+ (  0.339360   0.226939    -0.339360  -0.226939    -0.339360  -0.226939   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.6750      0.6750
+ **************************************************************************
+     freq (    1) =      14.853321 [THz] =     495.453457 [cm-1]
+ (  0.057660   0.018331    -0.462290  -0.068651     0.519950   0.086982   )
+ (  0.059895   0.008566    -0.467281   0.008566     0.527176  -0.000000   )
+     freq (    2) =      14.853321 [THz] =     495.453457 [cm-1]
+ (  0.569151   0.075763     0.336965   0.036921     0.232186   0.038842   )
+ (  0.573851  -0.019182     0.338438  -0.019182     0.235413   0.000000   )
+     freq (    3) =      27.142880 [THz] =     905.389007 [cm-1]
+ ( -0.332345  -0.237093     0.332345   0.237093     0.332345   0.237093   )
+ ( -0.408248   0.000000     0.408248  -0.000000     0.408248   0.000000   )
+     freq (    4) =      38.991774 [THz] =    1300.625588 [cm-1]
+ ( -0.268194  -0.033198    -0.570799  -0.083821     0.302605   0.050622   )
+ (  0.269996  -0.011508     0.576806  -0.011508    -0.306810   0.000000   )
+     freq (    5) =      38.991774 [THz] =    1300.625588 [cm-1]
+ ( -0.504347  -0.077052    -0.021969   0.003644    -0.482378  -0.080696   )
+ (  0.510148  -0.007219     0.021067  -0.007219     0.489082   0.000000   )
+     freq (    6) =      40.803531 [THz] =    1361.059289 [cm-1]
+ ( -0.332345  -0.237093     0.332345   0.237093     0.332345   0.237093   )
+ (  0.408248   0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.6500      0.6500
+ **************************************************************************
+     freq (    1) =      15.391437 [THz] =     513.403089 [cm-1]
+ (  0.159605   0.112403    -0.390076   0.031036     0.549681   0.081367   )
+ (  0.174344   0.087820    -0.381327   0.087820     0.555670  -0.000000   )
+     freq (    2) =      15.391437 [THz] =     513.403089 [cm-1]
+ (  0.486079  -0.242802     0.331039  -0.265751     0.155039   0.022950   )
+ (  0.445286  -0.311361     0.288557  -0.311361     0.156729   0.000000   )
+     freq (    3) =      28.628202 [THz] =     954.934022 [cm-1]
+ ( -0.327718  -0.243449     0.327718   0.243449     0.327718   0.243449   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+     freq (    4) =      38.838315 [THz] =    1295.506732 [cm-1]
+ ( -0.289320  -0.038633     0.281776   0.045904    -0.571096  -0.084537   )
+ (  0.291858  -0.004148    -0.285460  -0.004148     0.577319   0.000000   )
+     freq (    5) =      38.838315 [THz] =    1295.506732 [cm-1]
+ (  0.357008  -0.347390     0.362992  -0.346504    -0.005984  -0.000886   )
+ ( -0.302292   0.395922    -0.308341   0.395922     0.006049   0.000000   )
+     freq (    6) =      40.542862 [THz] =    1352.364303 [cm-1]
+ ( -0.327718  -0.243449     0.327718   0.243449     0.327718   0.243449   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.6250      0.6250
+ **************************************************************************
+     freq (    1) =      15.829654 [THz] =     528.020412 [cm-1]
+ ( -0.134452  -0.019940     0.415091   0.049313    -0.549542  -0.069253   )
+ ( -0.135890  -0.002973     0.417999  -0.002973    -0.553889   0.000000   )
+     freq (    2) =      15.829654 [THz] =     528.020412 [cm-1]
+ ( -0.557893  -0.060118    -0.396259  -0.039749    -0.161634  -0.020369   )
+ ( -0.561032   0.010107    -0.398119   0.010107    -0.162912   0.000000   )
+     freq (    3) =      29.981536 [THz] =    1000.076389 [cm-1]
+ (  0.327044   0.244354    -0.327044  -0.244354    -0.327044  -0.244354   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.713362 [THz] =    1291.338771 [cm-1]
+ ( -0.467103   0.012641     0.051244   0.077963    -0.518347  -0.065322   )
+ (  0.461857  -0.070944    -0.060589  -0.070944     0.522447   0.000000   )
+     freq (    5) =      38.713362 [THz] =    1291.338771 [cm-1]
+ ( -0.320181   0.111679    -0.563982   0.080955     0.243801   0.030724   )
+ (  0.303705  -0.150835     0.549434  -0.150835    -0.245729   0.000000   )
+     freq (    6) =      40.236839 [THz] =    1342.156477 [cm-1]
+ (  0.327044   0.244354    -0.327044  -0.244354    -0.327044  -0.244354   )
+ ( -0.408248  -0.000000     0.408248  -0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.6000      0.6000
+ **************************************************************************
+     freq (    1) =      16.173941 [THz] =     539.504593 [cm-1]
+ (  0.433812   0.039176     0.543640   0.050395    -0.109828  -0.011219   )
+ (  0.435547  -0.005114     0.545947  -0.005114    -0.110400   0.000000   )
+     freq (    2) =      16.173941 [THz] =     539.504593 [cm-1]
+ (  0.377091   0.037520    -0.186671  -0.020071     0.563763   0.057591   )
+ (  0.378952  -0.000996    -0.187745  -0.000996     0.566697   0.000000   )
+     freq (    3) =      31.187994 [THz] =    1040.319500 [cm-1]
+ (  0.332423   0.236984    -0.332423  -0.236984    -0.332423  -0.236984   )
+ (  0.408248   0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.616443 [THz] =    1288.105894 [cm-1]
+ ( -0.097502  -0.070551     0.439872  -0.015656    -0.537374  -0.054895   )
+ (  0.104167   0.060277    -0.436003   0.060277     0.540170   0.000000   )
+     freq (    5) =      38.616443 [THz] =    1288.105894 [cm-1]
+ (  0.555032  -0.103868     0.352250  -0.124583     0.202782   0.020715   )
+ ( -0.541603   0.159735    -0.337766   0.159735    -0.203837   0.000000   )
+     freq (    6) =      39.894610 [THz] =    1330.740961 [cm-1]
+ (  0.332423   0.236984    -0.332423  -0.236984    -0.332423  -0.236984   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5750      0.5750
+ **************************************************************************
+     freq (    1) =      16.431364 [THz] =     548.091294 [cm-1]
+ ( -0.434789  -0.040166     0.108995   0.001801    -0.543784  -0.041967   )
+ ( -0.436591  -0.006591     0.108810  -0.006591    -0.545401   0.000000   )
+     freq (    2) =      16.431364 [THz] =     548.091294 [cm-1]
+ ( -0.374672  -0.047953    -0.563507  -0.062526     0.188835   0.014574   )
+ ( -0.377251  -0.018981    -0.566648  -0.018981     0.189397   0.000000   )
+     freq (    3) =      32.224087 [THz] =    1074.879832 [cm-1]
+ (  0.346194   0.216370    -0.346194  -0.216370    -0.346194  -0.216370   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.545541 [THz] =    1285.740866 [cm-1]
+ ( -0.492497  -0.220729    -0.391256  -0.212915    -0.101241  -0.007813   )
+ (  0.508022   0.182178     0.406479   0.182178     0.101543   0.000000   )
+     freq (    5) =      38.545541 [THz] =    1285.740866 [cm-1]
+ (  0.204386  -0.016871    -0.362279  -0.060604     0.566666   0.043733   )
+ ( -0.202482   0.032548     0.365869   0.032548    -0.568351   0.000000   )
+     freq (    6) =      39.535160 [THz] =    1318.750972 [cm-1]
+ (  0.346194   0.216370    -0.346194  -0.216370    -0.346194  -0.216370   )
+ ( -0.408248   0.000000     0.408248   0.000000     0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5500      0.5500
+ **************************************************************************
+     freq (    1) =      16.609010 [THz] =     554.016927 [cm-1]
+ (  0.571272   0.054506     0.338327   0.042479     0.232945   0.012027   )
+ (  0.573322   0.024978     0.340067   0.024978     0.233255  -0.000000   )
+     freq (    2) =      16.609010 [THz] =     554.016927 [cm-1]
+ ( -0.062850   0.007802     0.464582   0.035032    -0.527432  -0.027231   )
+ ( -0.062364   0.011032     0.465770   0.011032    -0.528134   0.000000   )
+     freq (    3) =      33.049999 [THz] =    1102.429301 [cm-1]
+ (  0.369170   0.174299    -0.369170  -0.174299    -0.369170  -0.174299   )
+ (  0.408248  -0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.497846 [THz] =    1284.149905 [cm-1]
+ ( -0.287664  -0.014354     0.288917   0.015414    -0.576582  -0.029768   )
+ (  0.288022  -0.000497    -0.289328  -0.000497     0.577349   0.000000   )
+     freq (    5) =      38.497846 [THz] =    1284.149905 [cm-1]
+ (  0.382066   0.323113     0.381120   0.323064     0.000946   0.000049   )
+ ( -0.398218  -0.302983    -0.397270  -0.302983    -0.000948   0.000000   )
+     freq (    6) =      39.194912 [THz] =    1307.401549 [cm-1]
+ ( -0.369170  -0.174299     0.369170   0.174299     0.369170   0.174299   )
+ (  0.408248   0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5250      0.5250
+ **************************************************************************
+     freq (    1) =      16.712899 [THz] =     557.482301 [cm-1]
+ ( -0.528480  -0.014877    -0.465068  -0.013238    -0.063412  -0.001639   )
+ ( -0.528688  -0.001216    -0.465255  -0.001216    -0.063433   0.000000   )
+     freq (    2) =      16.712899 [THz] =     557.482301 [cm-1]
+ ( -0.231919  -0.005860     0.341744   0.008968    -0.573663  -0.014829   )
+ ( -0.231993   0.000134     0.341862   0.000134    -0.573855   0.000000   )
+     freq (    3) =      33.601266 [THz] =    1120.817574 [cm-1]
+ (  0.395477   0.101313    -0.395477  -0.101313    -0.395477  -0.101313   )
+ (  0.408248  -0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.470577 [THz] =    1283.240333 [cm-1]
+ ( -0.554705  -0.046547    -0.145289  -0.035964    -0.409416  -0.010583   )
+ (  0.555723   0.032197     0.146170   0.032197     0.409553   0.000000   )
+     freq (    5) =      38.470577 [THz] =    1283.240333 [cm-1]
+ ( -0.148842  -0.036262    -0.555646  -0.046778     0.406804   0.010515   )
+ (  0.149730   0.032404     0.556669   0.032404    -0.406940   0.000000   )
+     freq (    6) =      38.935973 [THz] =    1298.764271 [cm-1]
+ ( -0.395477  -0.101313     0.395477   0.101313     0.395477   0.101313   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5000      0.5000      0.5000
+ **************************************************************************
+     freq (    1) =      16.747057 [THz] =     558.621705 [cm-1]
+ ( -0.549919   0.000000    -0.427249  -0.000000    -0.122670   0.000000   )
+ ( -0.549919  -0.000000    -0.427249  -0.000000    -0.122670   0.000000   )
+     freq (    2) =      16.747057 [THz] =     558.621705 [cm-1]
+ ( -0.175849   0.000000     0.388319  -0.000000    -0.564168   0.000000   )
+ ( -0.175849   0.000000     0.388319   0.000000    -0.564168   0.000000   )
+     freq (    3) =      33.798573 [THz] =    1127.399041 [cm-1]
+ (  0.408248  -0.000000    -0.408248   0.000000    -0.408248   0.000000   )
+ (  0.408248   0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+     freq (    4) =      38.461731 [THz] =    1282.945240 [cm-1]
+ ( -0.472830  -0.000000     0.050506  -0.000000    -0.523336   0.000000   )
+ (  0.472830   0.000000    -0.050506   0.000000     0.523336   0.000000   )
+     freq (    5) =      38.461731 [THz] =    1282.945240 [cm-1]
+ ( -0.331308  -0.000000    -0.575137  -0.000000     0.243829  -0.000000   )
+ (  0.331308   0.000000     0.575137   0.000000    -0.243829   0.000000   )
+     freq (    6) =      38.836262 [THz] =    1295.438260 [cm-1]
+ ( -0.408248   0.000000     0.408248  -0.000000     0.408248  -0.000000   )
+ (  0.408248  -0.000000    -0.408248  -0.000000    -0.408248   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5250      0.5000      0.4750
+ **************************************************************************
+     freq (    1) =      16.794883 [THz] =     560.216986 [cm-1]
+ ( -0.287659  -0.022639    -0.575332  -0.049721     0.287278   0.027047   )
+ ( -0.288515  -0.004424    -0.577460  -0.004427     0.288549   0.000000   )
+     freq (    2) =      16.856198 [THz] =     562.262259 [cm-1]
+ (  0.498458   0.039230     0.000060  -0.000708     0.497924   0.045518   )
+ (  0.499960   0.006311    -0.000004   0.000710     0.500000   0.000000   )
+     freq (    3) =      33.782140 [THz] =    1126.850898 [cm-1]
+ (  0.407452   0.032067    -0.407291  -0.004909    -0.408106   0.022237   )
+ (  0.405103  -0.054188    -0.406420   0.027062    -0.408711   0.000000   )
+     freq (    4) =      38.438487 [THz] =    1282.169918 [cm-1]
+ (  0.274234   0.021583     0.588273   0.050940    -0.273862  -0.025878   )
+ ( -0.275048  -0.004311    -0.590456  -0.004627     0.275082   0.000000   )
+     freq (    5) =      38.470770 [THz] =    1283.246749 [cm-1]
+ ( -0.498154  -0.039206    -0.000907   0.024696    -0.499688   0.002570   )
+ (  0.497946  -0.041767     0.001034   0.024691     0.499695   0.000000   )
+     freq (    6) =      38.804257 [THz] =    1294.370697 [cm-1]
+ ( -0.416242  -0.032759     0.387646   0.032713     0.415845   0.037460   )
+ (  0.417502   0.004718    -0.389017  -0.002198    -0.417529   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5500      0.5000      0.4500
+ **************************************************************************
+     freq (    1) =      16.937641 [THz] =     564.978898 [cm-1]
+ ( -0.284619  -0.045079    -0.569275  -0.099223     0.283087   0.053871   )
+ ( -0.288029  -0.008923    -0.577788  -0.008948     0.288167   0.000000   )
+     freq (    2) =      17.177147 [THz] =     572.967934 [cm-1]
+ (  0.493843   0.078217     0.000271  -0.001580     0.491678   0.090839   )
+ (  0.499835   0.012805    -0.000021   0.001603     0.499999   0.000000   )
+     freq (    3) =      33.733761 [THz] =    1125.237163 [cm-1]
+ (  0.405011   0.064148    -0.404463  -0.010559    -0.407807   0.042928   )
+ (  0.396071  -0.106194    -0.401135   0.052843    -0.410060   0.000000   )
+     freq (    4) =      38.364298 [THz] =    1279.695234 [cm-1]
+ ( -0.226700  -0.035906    -0.618685  -0.108925     0.225331   0.043679   )
+ (  0.229390   0.007891     0.628108   0.010801    -0.229525   0.000000   )
+     freq (    5) =      38.496848 [THz] =    1284.116635 [cm-1]
+ ( -0.492668  -0.078031    -0.003624   0.048642    -0.498792   0.004168   )
+ (  0.491999  -0.082145     0.004030   0.048610     0.498809   0.000000   )
+     freq (    6) =      38.713929 [THz] =    1291.357671 [cm-1]
+ (  0.438738   0.069489    -0.319985  -0.054504    -0.437002  -0.079679   )
+ ( -0.444086  -0.010336     0.324572   0.003776     0.444206   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.5750      0.5000      0.4250
+ **************************************************************************
+     freq (    1) =      17.173183 [THz] =     572.835713 [cm-1]
+ (  0.279582   0.067122     0.559168   0.148288    -0.276102  -0.080242   )
+ (  0.287206   0.013571     0.578335   0.013656    -0.287526   0.000000   )
+     freq (    2) =      17.691702 [THz] =     590.131656 [cm-1]
+ (  0.486181   0.116722     0.000725  -0.002777     0.481214   0.135755   )
+ (  0.499609   0.019667    -0.000056   0.002870     0.499996   0.000000   )
+     freq (    3) =      33.656048 [THz] =    1122.644930 [cm-1]
+ (  0.400797   0.096223    -0.399875  -0.017516    -0.407675   0.060809   )
+ (  0.382215  -0.154299    -0.392915   0.076317    -0.412185   0.000000   )
+     freq (    4) =      38.224793 [THz] =    1275.041843 [cm-1]
+ (  0.142497   0.034211     0.651824   0.179369    -0.139938  -0.043510   )
+ ( -0.146229  -0.009640    -0.675687  -0.022248     0.146546   0.000000   )
+     freq (    5) =      38.537010 [THz] =    1285.456283 [cm-1]
+ ( -0.483682  -0.116122    -0.008137   0.071200    -0.497409   0.004006   )
+ (  0.482731  -0.120014     0.008710   0.071133     0.497426   0.000000   )
+     freq (    6) =      38.583287 [THz] =    1286.999934 [cm-1]
+ ( -0.464838  -0.111598     0.200577   0.052081     0.460410   0.128650   )
+ (  0.477722   0.017615    -0.207193  -0.003819    -0.478046   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6000      0.5000      0.4000
+ **************************************************************************
+     freq (    1) =      17.497934 [THz] =     583.668256 [cm-1]
+ (  0.272587   0.088569     0.544993   0.196688    -0.266324  -0.105924   )
+ (  0.286022   0.018442     0.579099   0.018650    -0.286615   0.000000   )
+     freq (    2) =      18.373091 [THz] =     612.860361 [cm-1]
+ (  0.475518   0.154505     0.001581  -0.004452     0.466447   0.180044   )
+ (  0.499254   0.027091    -0.000128   0.004723     0.499989   0.000000   )
+     freq (    3) =      33.552914 [THz] =    1119.204746 [cm-1]
+ (  0.394636   0.128225    -0.393652  -0.026068    -0.408098   0.075067   )
+ (  0.364928  -0.197503    -0.382441   0.096853    -0.414945   0.000000   )
+     freq (    4) =      38.002284 [THz] =    1267.619761 [cm-1]
+ ( -0.046389  -0.015073    -0.645555  -0.280179     0.042693   0.023590   )
+ (  0.047893   0.009243     0.700540   0.066978    -0.048776   0.000000   )
+     freq (    5) =      38.435945 [THz] =    1282.085128 [cm-1]
+ (  0.473271   0.153775    -0.064865  -0.022990    -0.464477  -0.178586   )
+ ( -0.496930  -0.026314     0.068794   0.001820     0.497626   0.000000   )
+     freq (    6) =      38.586796 [THz] =    1287.116985 [cm-1]
+ (  0.471394   0.153165     0.014406  -0.091913     0.495651  -0.001592   )
+ ( -0.470900   0.154679    -0.014702  -0.091866    -0.495653   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6250      0.5000      0.3750
+ **************************************************************************
+     freq (    1) =      17.906932 [THz] =     597.310945 [cm-1]
+ ( -0.263695  -0.109226    -0.526725  -0.244192     0.253756   0.130666   )
+ ( -0.284443  -0.023611    -0.580079  -0.024035     0.285422  -0.000000   )
+     freq (    2) =      19.189836 [THz] =     640.104017 [cm-1]
+ ( -0.461914  -0.191331    -0.003075   0.006741    -0.447259  -0.223454   )
+ ( -0.498726  -0.035285     0.000262  -0.007405    -0.499973   0.000000   )
+     freq (    3) =      33.429087 [THz] =    1115.074307 [cm-1]
+ (  0.386367   0.160038    -0.385882  -0.036215    -0.409397   0.085357   )
+ (  0.345569  -0.235529    -0.370367   0.114213    -0.418201   0.000000   )
+     freq (    4) =      37.694513 [THz] =    1257.353604 [cm-1]
+ ( -0.025894  -0.010726     0.685715   0.168001     0.027920   0.002459   )
+ (  0.026735  -0.008413    -0.697809   0.107199    -0.028028   0.000000   )
+     freq (    5) =      38.282173 [THz] =    1276.955853 [cm-1]
+ (  0.461239   0.191051     0.035417   0.016183    -0.446347  -0.223643   )
+ ( -0.497955  -0.035809    -0.038913  -0.001397     0.499241   0.000000   )
+     freq (    6) =      38.640780 [THz] =    1288.917673 [cm-1]
+ ( -0.456029  -0.188893    -0.022361   0.110519    -0.493591  -0.003239   )
+ (  0.457258  -0.185897     0.021635   0.110664     0.493602   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6500      0.5000      0.3500
+ **************************************************************************
+     freq (    1) =      18.393887 [THz] =     613.554038 [cm-1]
+ ( -0.252979  -0.128899    -0.504331  -0.290557     0.238404   0.154198   )
+ ( -0.282424  -0.029158    -0.581272  -0.029927     0.283925  -0.000000   )
+     freq (    2) =      20.109193 [THz] =     670.770476 [cm-1]
+ ( -0.445447  -0.226967    -0.005533   0.009759    -0.423493  -0.265689   )
+ ( -0.497955  -0.044469     0.000499  -0.011208    -0.499937   0.000000   )
+     freq (    3) =      33.289652 [THz] =    1110.423265 [cm-1]
+ (  0.375863   0.191512    -0.376594  -0.047719    -0.411751   0.091711   )
+ (  0.325237  -0.268646    -0.357212   0.128452    -0.421841   0.000000   )
+     freq (    4) =      37.313573 [THz] =    1244.646835 [cm-1]
+ ( -0.068651  -0.034979     0.639678   0.280960     0.072205   0.026887   )
+ (  0.076542  -0.008823    -0.697511   0.040070    -0.077048   0.000000   )
+     freq (    5) =      38.119713 [THz] =    1271.536745 [cm-1]
+ (  0.440239   0.224313     0.094153   0.053688    -0.417244  -0.264639   )
+ ( -0.491911  -0.046371    -0.108264  -0.005092     0.494092   0.000000   )
+     freq (    6) =      38.693069 [THz] =    1290.661868 [cm-1]
+ ( -0.437807  -0.223074    -0.031892   0.126926    -0.491252  -0.010365   )
+ (  0.442415  -0.213788     0.029207   0.127570     0.491362   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.6750      0.5000      0.3250
+ **************************************************************************
+     freq (    1) =      18.951305 [THz] =     632.147494 [cm-1]
+ ( -0.240530  -0.147397    -0.477763  -0.335532     0.220281   0.176230   )
+ ( -0.279900  -0.035164    -0.582675  -0.036458     0.282100  -0.000000   )
+     freq (    2) =      21.099573 [THz] =     703.805986 [cm-1]
+ ( -0.426204  -0.261178    -0.009390   0.013585    -0.394956  -0.306388   )
+ ( -0.496842  -0.054875     0.000908  -0.016489    -0.499864   0.000000   )
+     freq (    3) =      33.139704 [THz] =    1105.421532 [cm-1]
+ (  0.363050   0.222477    -0.365753  -0.060184    -0.415195   0.094418   )
+ (  0.304678  -0.297443    -0.343302   0.139790    -0.425795   0.000000   )
+     freq (    4) =      36.872945 [THz] =    1229.949061 [cm-1]
+ ( -0.092921  -0.056942     0.605629   0.330846     0.098122   0.047422   )
+ (  0.108441  -0.010835    -0.689251   0.034348    -0.108981   0.000000   )
+     freq (    5) =      37.946447 [THz] =    1265.757224 [cm-1]
+ (  0.416189   0.255041     0.125601   0.087779    -0.382552  -0.303173   )
+ ( -0.484586  -0.058615    -0.152957  -0.009217     0.488118   0.000000   )
+     freq (    6) =      38.737720 [THz] =    1292.151268 [cm-1]
+ ( -0.416939  -0.255500    -0.042861   0.141161    -0.488610  -0.019452   )
+ (  0.426772  -0.238713     0.037212   0.142755     0.488997   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7000      0.5000      0.3000
+ **************************************************************************
+     freq (    1) =      19.570652 [THz] =     652.806679 [cm-1]
+ ( -0.226454  -0.164528    -0.446954  -0.378854     0.199402   0.196442   )
+ ( -0.276786  -0.041720    -0.584278  -0.043786     0.279912  -0.000000   )
+     freq (    2) =      22.131853 [THz] =     738.239136 [cm-1]
+ ( -0.404280  -0.293727    -0.015218   0.018241    -0.361426  -0.345093   )
+ ( -0.495240  -0.066745     0.001590  -0.023703    -0.499718   0.000000   )
+     freq (    3) =      32.984106 [THz] =    1100.231338 [cm-1]
+ (  0.347899   0.252763    -0.353281  -0.073118    -0.419648   0.093906   )
+ (  0.284306  -0.322635    -0.328788   0.148500    -0.430027   0.000000   )
+     freq (    4) =      36.384145 [THz] =    1213.644440 [cm-1]
+ ( -0.106377  -0.077287     0.573748   0.369101     0.114433   0.064763   )
+ (  0.130645  -0.014868    -0.681123   0.038632    -0.131489   0.000000   )
+     freq (    5) =      37.763441 [THz] =    1259.652793 [cm-1]
+ (  0.390507   0.283720     0.140537   0.119430    -0.343001  -0.339622   )
+ ( -0.477119  -0.073149    -0.183896  -0.014015     0.482693   0.000000   )
+     freq (    6) =      38.769026 [THz] =    1293.195506 [cm-1]
+ ( -0.393623  -0.285984    -0.055108   0.153333    -0.485618  -0.030017   )
+ (  0.410517  -0.261155     0.045543   0.156440     0.486545   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7250      0.5000      0.2750
+ **************************************************************************
+     freq (    1) =      20.242582 [THz] =     675.219841 [cm-1]
+ (  0.210875   0.180104     0.411807   0.420243    -0.175791  -0.214483   )
+ (  0.272968   0.048927     0.586066   0.052108    -0.277319   0.000000   )
+     freq (    2) =      23.179821 [THz] =     773.195609 [cm-1]
+ (  0.379775   0.324358     0.023774  -0.023669     0.322678   0.381204   )
+ (  0.492938   0.080308    -0.002706   0.033438     0.499437   0.000000   )
+     freq (    3) =      32.827335 [THz] =    1095.002029 [cm-1]
+ (  0.330422   0.282207    -0.339072  -0.085976    -0.424969   0.090668   )
+ (  0.264264  -0.344940    -0.313670   0.154833    -0.434533   0.000000   )
+     freq (    4) =      35.857307 [THz] =    1196.071020 [cm-1]
+ ( -0.113367  -0.096825     0.543387   0.400345     0.126071   0.079583   )
+ (  0.147550  -0.021361    -0.673198   0.048477    -0.149088   0.000000   )
+     freq (    5) =      37.574077 [THz] =    1253.336294 [cm-1]
+ (  0.363356   0.310335     0.144690   0.149646    -0.297924  -0.373600   )
+ ( -0.469177  -0.090601    -0.207210  -0.019824     0.477845   0.000000   )
+     freq (    6) =      38.781719 [THz] =    1293.618907 [cm-1]
+ ( -0.368052  -0.314346    -0.068461   0.163592    -0.482239  -0.041490   )
+ (  0.393642  -0.281640     0.054186   0.168858     0.484020   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7500      0.5000      0.2500
+ **************************************************************************
+     freq (    1) =      20.957203 [THz] =     699.057033 [cm-1]
+ (  0.193937   0.193937     0.372174   0.459392    -0.149477  -0.229955   )
+ (  0.268299   0.056907     0.588006   0.061673    -0.274268   0.000000   )
+     freq (    2) =      24.220022 [THz] =     807.892965 [cm-1]
+ (  0.352782   0.352782     0.036049  -0.029684     0.278535   0.413918   )
+ (  0.489638   0.095730    -0.004501   0.046480     0.498908   0.000000   )
+     freq (    3) =      32.673368 [THz] =    1089.866255 [cm-1]
+ ( -0.310655  -0.310655     0.323009   0.098185     0.430988  -0.085218   )
+ ( -0.244496   0.365013     0.297829  -0.158975     0.439332   0.000000   )
+     freq (    4) =      35.301680 [THz] =    1177.537285 [cm-1]
+ (  0.116262   0.116262    -0.514728  -0.425427    -0.136072  -0.092294   )
+ ( -0.161479   0.030956     0.664790  -0.063146     0.164419   0.000000   )
+     freq (    5) =      37.383351 [THz] =    1246.974381 [cm-1]
+ (  0.334706   0.334706     0.140797   0.179061    -0.246312  -0.404212   )
+ ( -0.459990  -0.111652    -0.226174  -0.027057     0.473346   0.000000   )
+     freq (    6) =      38.771124 [THz] =    1293.265477 [cm-1]
+ ( -0.340415  -0.340415    -0.082741   0.172118    -0.478467  -0.053239   )
+ (  0.375973  -0.300681     0.063199   0.180212     0.481420   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.7750      0.5000      0.2250
+ **************************************************************************
+     freq (    1) =      21.704374 [THz] =     723.979975 [cm-1]
+ (  0.175805   0.205841     0.327830   0.495956    -0.120489  -0.242405   )
+ (  0.262578   0.065809     0.590036   0.072814    -0.270699   0.000000   )
+     freq (    2) =      25.231206 [THz] =     841.622429 [cm-1]
+ (  0.323377   0.378626     0.053372  -0.035919     0.228997   0.442143   )
+ (  0.484930   0.113018    -0.007349   0.063912     0.497926   0.000000   )
+     freq (    3) =      32.525573 [THz] =    1084.936335 [cm-1]
+ ( -0.288651  -0.337967     0.304968   0.109145     0.437546  -0.078070   )
+ ( -0.224799   0.383414     0.281055  -0.161016     0.444456   0.000000   )
+     freq (    4) =      34.725819 [THz] =    1158.328642 [cm-1]
+ (  0.116401   0.136288    -0.488279  -0.444225    -0.146655  -0.103034   )
+ ( -0.173593   0.044602     0.654903  -0.082789     0.179231   0.000000   )
+     freq (    5) =      37.197605 [THz] =    1240.778547 [cm-1]
+ (  0.304580   0.356618     0.129939   0.207905    -0.187083  -0.430053   )
+ ( -0.448515  -0.137039    -0.242481  -0.036217     0.468984   0.000000   )
+     freq (    6) =      38.733283 [THz] =    1292.003243 [cm-1]
+ ( -0.310909  -0.364028    -0.097763   0.179109    -0.474352  -0.064588   )
+ (  0.357180  -0.318753     0.072704   0.190661     0.478729   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8000      0.5000      0.2000
+ **************************************************************************
+     freq (    1) =      22.474008 [THz] =     749.652204 [cm-1]
+ (  0.156670   0.215638     0.278435   0.529512    -0.088859  -0.251296   )
+ (  0.255532   0.075820     0.592044   0.085981    -0.266543   0.000000   )
+     freq (    2) =      26.193490 [THz] =     873.720769 [cm-1]
+ (  0.291604   0.401358     0.077551  -0.041752     0.174505   0.464402   )
+ (  0.478281   0.131792    -0.011805   0.087281     0.496106   0.000000   )
+     freq (    3) =      32.386576 [THz] =    1080.299879 [cm-1]
+ ( -0.264471  -0.364013     0.284822   0.118222     0.444508  -0.069735   )
+ ( -0.204858   0.400604     0.263057  -0.160937     0.449945   0.000000   )
+     freq (    4) =      34.137785 [THz] =    1138.713948 [cm-1]
+ (  0.114599   0.157732    -0.464755  -0.456046    -0.159872  -0.111595   )
+ ( -0.184253   0.063745     0.642125  -0.107938     0.194968   0.000000   )
+     freq (    5) =      37.024480 [THz] =    1235.003708 [cm-1]
+ (  0.273093   0.375881     0.112220   0.235954    -0.119245  -0.449051   )
+ ( -0.433380  -0.167474    -0.256852  -0.047902     0.464614   0.000000   )
+     freq (    6) =      38.665100 [THz] =    1289.728924 [cm-1]
+ ( -0.279742  -0.385031    -0.113335   0.184787    -0.470008  -0.074811   )
+ (  0.336787  -0.336272     0.082879   0.200305     0.475925   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8250      0.5000      0.1750
+ **************************************************************************
+     freq (    1) =      23.256363 [THz] =     775.748781 [cm-1]
+ (  0.136753   0.223161     0.223471   0.559514    -0.054612  -0.255969   )
+ (  0.246784   0.087179     0.593827   0.101805    -0.261730   0.000000   )
+     freq (    2) =      27.087152 [THz] =     903.530148 [cm-1]
+ (  0.257436   0.420098     0.111137  -0.046236     0.116500   0.478731   )
+ (  0.469056   0.150804    -0.018646   0.118918     0.492702   0.000000   )
+     freq (    3) =      32.258088 [THz] =    1076.013992 [cm-1]
+ ( -0.238174  -0.388665     0.262425   0.124731     0.451774  -0.060732   )
+ ( -0.184269   0.416932     0.243467  -0.158582     0.455837   0.000000   )
+     freq (    4) =      33.545691 [THz] =    1118.963792 [cm-1]
+ (  0.111413   0.181809    -0.444952  -0.459438    -0.178147  -0.117178   )
+ ( -0.192993   0.090670     0.624222  -0.139328     0.213230   0.000000   )
+     freq (    5) =      36.872932 [THz] =    1229.948617 [cm-1]
+ (  0.240450   0.392379     0.087180   0.262383    -0.042185  -0.458255   )
+ ( -0.412768  -0.203469    -0.269270  -0.062761     0.460193   0.000000   )
+     freq (    6) =      38.564514 [THz] =    1286.373735 [cm-1]
+ ( -0.247131  -0.403282    -0.129253   0.189404    -0.465620  -0.083113   )
+ (  0.314152  -0.353580     0.093959   0.209170     0.472980   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8500      0.5000      0.1500
+ **************************************************************************
+     freq (    1) =      24.042296 [THz] =     801.964671 [cm-1]
+ ( -0.116308  -0.228268    -0.162157  -0.585182     0.017767   0.255574   )
+ ( -0.235784  -0.100198    -0.595019  -0.121184     0.256191  -0.000000   )
+     freq (    2) =      27.890680 [THz] =     930.332948 [cm-1]
+ ( -0.220718  -0.433184    -0.157952   0.048179    -0.058622  -0.482627   )
+ ( -0.456637  -0.166875     0.028781  -0.162609    -0.486174   0.000000   )
+     freq (    3) =      32.140679 [THz] =    1072.097661 [cm-1]
+ (  0.209817   0.411789    -0.237595  -0.127910    -0.459274   0.051583   )
+ (  0.162546  -0.432635    -0.221834   0.153629    -0.462162   0.000000   )
+     freq (    4) =      32.959233 [THz] =    1099.401688 [cm-1]
+ ( -0.107317  -0.210622     0.429354   0.451551     0.204950   0.117789   )
+ (  0.197996  -0.129137    -0.597257   0.177557    -0.236387   0.000000   )
+     freq (    5) =      36.753116 [THz] =    1225.951996 [cm-1]
+ (  0.206930   0.406123     0.054193   0.285570     0.043762  -0.453697   )
+ ( -0.384380  -0.244967    -0.279048  -0.081360     0.455803   0.000000   )
+     freq (    6) =      38.430729 [THz] =    1281.911132 [cm-1]
+ (  0.213314   0.418652     0.145285  -0.193254     0.461433   0.088613   )
+ ( -0.288441   0.370910    -0.106232  -0.217186    -0.469864   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.8750      0.5000      0.1250
+ **************************************************************************
+     freq (    1) =      24.823435 [THz] =     828.020656 [cm-1]
+ ( -0.095625  -0.230859    -0.093312  -0.605320    -0.021663   0.248939   )
+ ( -0.221700  -0.115279    -0.594952  -0.145437     0.249880  -0.000000   )
+     freq (    2) =      28.576712 [THz] =     953.216506 [cm-1]
+ ( -0.181032  -0.437050    -0.224126   0.046880    -0.009314  -0.472967   )
+ ( -0.440529  -0.172392     0.042458  -0.225006    -0.473059   0.000000   )
+     freq (    3) =      32.033492 [THz] =    1068.522273 [cm-1]
+ (  0.179449   0.433227    -0.210066  -0.126875    -0.466963   0.042809   )
+ (  0.139149  -0.447800    -0.197606   0.145523    -0.468922   0.000000   )
+     freq (    4) =      32.393865 [THz] =    1080.543018 [cm-1]
+ ( -0.102822  -0.248235     0.416512   0.426768     0.245661   0.108829   )
+ (  0.194556  -0.185314    -0.553675   0.221490    -0.268688   0.000000   )
+     freq (    5) =      36.675878 [THz] =    1223.375593 [cm-1]
+ ( -0.172853  -0.417305    -0.013033  -0.302962    -0.136378   0.430608   )
+ (  0.345640   0.290783     0.284888   0.103898    -0.451688   0.000000   )
+     freq (    6) =      38.264529 [THz] =    1276.367296 [cm-1]
+ (  0.178542   0.431039     0.161155  -0.196683     0.457731   0.090302   )
+ ( -0.258595   0.388331    -0.120040  -0.224156    -0.466554   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9000      0.5000      0.1000
+ **************************************************************************
+     freq (    1) =      25.592230 [THz] =     853.664905 [cm-1]
+ ( -0.075033  -0.230927    -0.015157  -0.617945    -0.063621   0.234328   )
+ ( -0.203199  -0.132919    -0.592384  -0.176541     0.242811   0.000000   )
+     freq (    2) =      29.101719 [THz] =     970.728866 [cm-1]
+ ( -0.137520  -0.423243    -0.319058   0.045918     0.012587  -0.444846   )
+ ( -0.419184  -0.149436     0.054924  -0.317632    -0.445024   0.000000   )
+     freq (    3) =      31.882092 [THz] =    1063.472127 [cm-1]
+ ( -0.098218  -0.302283     0.396934   0.374700     0.307437   0.080649   )
+ (  0.171705  -0.267468    -0.479020   0.261718    -0.317839   0.000000   )
+     freq (    4) =      31.933929 [THz] =    1065.201215 [cm-1]
+ ( -0.147113  -0.452766     0.179409   0.120558     0.474788  -0.034868   )
+ ( -0.113556   0.462325     0.170098  -0.133374     0.476066   0.000000   )
+     freq (    5) =      36.651511 [THz] =    1222.562821 [cm-1]
+ ( -0.138518  -0.426315     0.035309  -0.311272    -0.230488   0.384456   )
+ (  0.294415   0.338011     0.285126   0.129769    -0.448254   0.000000   )
+     freq (    6) =      38.068696 [THz] =    1269.835013 [cm-1]
+ ( -0.143086  -0.440375    -0.176510   0.200093    -0.454785  -0.087030   )
+ (  0.223307  -0.405632     0.135755   0.229703     0.463037   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9250      0.5000      0.0750
+ **************************************************************************
+     freq (    1) =      26.341761 [THz] =     878.666579 [cm-1]
+ (  0.054893   0.228644    -0.074968   0.619513     0.107847  -0.208951   )
+ (  0.178002   0.153645     0.584895   0.217519    -0.235141   0.000000   )
+     freq (    2) =      29.384002 [THz] =     980.144817 [cm-1]
+ (  0.090035   0.375025     0.444748  -0.068550     0.027068   0.384730   )
+ (  0.380419   0.063494    -0.037168   0.448463     0.385681   0.000000   )
+     freq (    3) =      31.497543 [THz] =    1050.644935 [cm-1]
+ ( -0.091116  -0.379524     0.339074   0.283455     0.389666   0.022394   )
+ (  0.112740  -0.373672    -0.354779   0.263534    -0.390309   0.000000   )
+     freq (    4) =      31.837420 [THz] =    1061.982036 [cm-1]
+ ( -0.112858  -0.470086     0.144894   0.107570     0.482632  -0.027990   )
+ ( -0.085452   0.475831     0.138423  -0.115779     0.483443   0.000000   )
+     freq (    5) =      36.687583 [THz] =    1223.766032 [cm-1]
+ (  0.104115   0.433670    -0.087866   0.307345     0.317607  -0.313106   )
+ ( -0.230311  -0.381925    -0.278341  -0.157186     0.445992   0.000000   )
+     freq (    6) =      37.848526 [THz] =    1262.490931 [cm-1]
+ ( -0.107230  -0.446646    -0.190875   0.203922    -0.452752  -0.077507   )
+ (  0.181058  -0.422148     0.153729   0.233205     0.459338   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9500      0.5000      0.0500
+ **************************************************************************
+     freq (    1) =      27.065060 [THz] =     902.793210 [cm-1]
+ (  0.035572   0.224596    -0.180809   0.603234     0.153246  -0.168001   )
+ (  0.141959   0.177641     0.567522   0.272949    -0.227395   0.000000   )
+     freq (    2) =      29.320474 [THz] =     978.025739 [cm-1]
+ ( -0.046674  -0.294690    -0.540785   0.171786    -0.131943  -0.267603   )
+ ( -0.284949   0.088457    -0.085073  -0.561000    -0.298363   0.000000   )
+     freq (    3) =      31.340891 [THz] =    1045.419590 [cm-1]
+ (  0.072145   0.455507    -0.214964  -0.168547    -0.459566   0.038609   )
+ ( -0.033758   0.459947     0.200100  -0.185951     0.461184   0.000000   )
+     freq (    4) =      31.737570 [THz] =    1058.651391 [cm-1]
+ ( -0.076760  -0.484644     0.105238   0.085916     0.490202  -0.021775   )
+ ( -0.055178   0.487573     0.101321  -0.090502     0.490685   0.000000   )
+     freq (    5) =      36.786206 [THz] =    1227.055743 [cm-1]
+ ( -0.069660  -0.439813     0.139710  -0.289663    -0.387557   0.219290   )
+ (  0.155963   0.417090     0.264241   0.183303    -0.445296   0.000000   )
+     freq (    6) =      37.612387 [THz] =    1254.614188 [cm-1]
+ ( -0.071263  -0.449935    -0.203611   0.208575    -0.451520  -0.060407   )
+ (  0.130297  -0.436512     0.174155   0.233732     0.455543   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -0.9750      0.5000      0.0250
+ **************************************************************************
+     freq (    1) =      27.753295 [THz] =     925.750287 [cm-1]
+ ( -0.017348  -0.220432     0.306325  -0.555322    -0.195707   0.102907   )
+ ( -0.087235  -0.203178    -0.529576  -0.348950     0.221114   0.000000   )
+     freq (    2) =      28.942446 [THz] =     965.416068 [cm-1]
+ ( -0.018764  -0.238424    -0.523342   0.334241    -0.208422  -0.117296   )
+ ( -0.133287   0.198577    -0.292149  -0.547953    -0.239162   0.000000   )
+     freq (    3) =      31.386095 [THz] =    1046.927424 [cm-1]
+ (  0.038729   0.492098    -0.085995  -0.072694    -0.491678   0.043733   )
+ (  0.005021   0.493594     0.079217  -0.080027     0.493619   0.000000   )
+     freq (    4) =      31.627527 [THz] =    1054.980736 [cm-1]
+ ( -0.038989  -0.495400     0.058190   0.052260     0.496727  -0.014275   )
+ ( -0.024742   0.496316     0.056665  -0.053911     0.496932   0.000000   )
+     freq (    5) =      36.942102 [THz] =    1232.255872 [cm-1]
+ (  0.035013   0.444877    -0.185353   0.259540     0.432166  -0.111238   )
+ ( -0.076987  -0.439562    -0.244198  -0.205145     0.446253   0.000000   )
+     freq (    6) =      37.372130 [THz] =    1246.600061 [cm-1]
+ ( -0.035452  -0.450456    -0.213897   0.214274    -0.450518  -0.034659   )
+ (  0.069899  -0.446410     0.196831   0.230049     0.451849   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.5000      0.0000
+ **************************************************************************
+     freq (    1) =      28.390958 [THz] =     947.020415 [cm-1]
+ (  0.211279   0.217895     0.149384  -0.149384     0.217895  -0.211279   )
+ (  0.000000  -0.073534     0.871860   0.013441     0.073534   0.000000   )
+     freq (    2) =      28.390958 [THz] =     947.020415 [cm-1]
+ (  0.051189   0.052792    -0.616571   0.616571     0.052792  -0.051189   )
+ (  0.000000   0.303508     0.211236   0.003256    -0.303508   0.000000   )
+     freq (    3) =      31.504859 [THz] =    1050.888972 [cm-1]
+ ( -0.223325  -0.669975     0.000000   0.000000     0.669975  -0.223325   )
+ (  0.000000  -0.035498    -0.000000  -0.000000    -0.035498   0.000000   )
+     freq (    4) =      31.504859 [THz] =    1050.888972 [cm-1]
+ (  0.011225   0.033676     0.000000  -0.000000    -0.033676   0.011225   )
+ ( -0.000000  -0.706215     0.000000   0.000000    -0.706215   0.000000   )
+     freq (    5) =      37.142945 [THz] =    1238.955283 [cm-1]
+ ( -0.080403  -0.629294     0.000000  -0.000000    -0.629294   0.080403   )
+ (  0.000000   0.000000     0.349349   0.270192    -0.000000   0.000000   )
+     freq (    6) =      37.142945 [THz] =    1238.955283 [cm-1]
+ (  0.000000  -0.000000    -0.312289   0.312289    -0.000000  -0.000000   )
+ ( -0.000000  -0.634410     0.000000   0.000000     0.634410   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4750      0.0000
+ **************************************************************************
+     freq (    1) =      28.337059 [THz] =     945.222547 [cm-1]
+ ( -0.067501  -0.025415     0.619282  -0.572458    -0.044440   0.118033   )
+ ( -0.000000  -0.215067    -0.252855   0.126721     0.376066   0.000000   )
+     freq (    2) =      28.337059 [THz] =     945.222547 [cm-1]
+ (  0.201273   0.075781     0.207690  -0.191986     0.132511  -0.351947   )
+ (  0.000000  -0.072127     0.753954  -0.377852     0.126122   0.000000   )
+     freq (    3) =      31.551701 [THz] =    1052.451454 [cm-1]
+ ( -0.051970  -0.054741     0.089025  -0.082294     0.052125  -0.049487   )
+ ( -0.000000  -0.714821    -0.012801   0.000170    -0.680666   0.000000   )
+     freq (    4) =      31.551701 [THz] =    1052.451454 [cm-1]
+ ( -0.492164  -0.518405    -0.009401   0.008690     0.493635  -0.468648   )
+ ( -0.000000   0.075481    -0.121223   0.001614     0.071875   0.000000   )
+     freq (    5) =      37.145928 [THz] =    1239.054790 [cm-1]
+ (  0.429590   0.497322    -0.000000   0.000000     0.462921  -0.399874   )
+ ( -0.000000  -0.000000    -0.440122  -0.014826     0.000000   0.000000   )
+     freq (    6) =      37.145928 [THz] =    1239.054790 [cm-1]
+ ( -0.000000  -0.000000    -0.323375   0.298924    -0.000000   0.000000   )
+ ( -0.000000  -0.657174     0.000000   0.000000     0.611715   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4500      0.0000
+ **************************************************************************
+     freq (    1) =      28.185235 [THz] =     940.158247 [cm-1]
+ ( -0.012692  -0.027718    -0.648146   0.553569    -0.085342   0.039078   )
+ ( -0.000000   0.149242    -0.167458  -0.047691    -0.459498   0.000000   )
+     freq (    2) =      28.185235 [THz] =     940.158247 [cm-1]
+ (  0.062134   0.135693    -0.132399   0.113080     0.417781  -0.191304   )
+ ( -0.000000   0.030486     0.819772   0.233467    -0.093863   0.000000   )
+     freq (    3) =      31.682439 [THz] =    1056.812425 [cm-1]
+ (  0.195448  -0.313721     0.149407  -0.127606     0.287991   0.179419   )
+ (  0.000000  -0.614434    -0.035694  -0.112679    -0.564042   0.000000   )
+     freq (    4) =      31.682439 [THz] =    1056.812425 [cm-1]
+ ( -0.324900   0.521507     0.089878  -0.076763    -0.478736  -0.298253   )
+ (  0.000000  -0.369622     0.059336   0.187310    -0.339308   0.000000   )
+     freq (    5) =      37.154861 [THz] =    1239.352767 [cm-1]
+ ( -0.000000  -0.000000    -0.331954   0.283515    -0.000000   0.000000   )
+ (  0.000000  -0.680182     0.000000   0.000000     0.588879   0.000000   )
+     freq (    6) =      37.154861 [THz] =    1239.352767 [cm-1]
+ (  0.061379   0.677407     0.000000  -0.000000     0.586476  -0.053140   )
+ ( -0.000000  -0.000000    -0.356184  -0.252403     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4250      0.0000
+ **************************************************************************
+     freq (    1) =      27.958225 [THz] =     932.586003 [cm-1]
+ (  0.068939   0.056011     0.225488  -0.177761     0.311684  -0.383628   )
+ (  0.000000  -0.032069     0.775955  -0.174263     0.178458   0.000000   )
+     freq (    2) =      27.958225 [THz] =     932.586003 [cm-1]
+ (  0.024890   0.020222    -0.624548   0.492354     0.112531  -0.138506   )
+ (  0.000000   0.088824     0.280152  -0.062916    -0.494285   0.000000   )
+     freq (    3) =      31.874594 [THz] =    1063.222013 [cm-1]
+ ( -0.246840   0.659615     0.002766  -0.002181    -0.595155  -0.222718   )
+ ( -0.000000  -0.007843     0.164005   0.270450    -0.007077   0.000000   )
+     freq (    4) =      31.874594 [THz] =    1063.222013 [cm-1]
+ ( -0.002749   0.007346    -0.248390   0.195815    -0.006628  -0.002480   )
+ (  0.000000   0.704289     0.001826   0.003012     0.635463   0.000000   )
+     freq (    5) =      37.169692 [THz] =    1239.847475 [cm-1]
+ ( -0.393905  -0.582955     0.000000  -0.000000    -0.468694   0.316699   )
+ (  0.000000   0.000000     0.428994   0.031525    -0.000000   0.000000   )
+     freq (    6) =      37.169692 [THz] =    1239.847475 [cm-1]
+ ( -0.000000  -0.000000    -0.337805   0.266304    -0.000000   0.000000   )
+ ( -0.000000  -0.703561     0.000000   0.000000     0.565661   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.4000      0.0000
+ **************************************************************************
+     freq (    1) =      27.679986 [THz] =     923.304959 [cm-1]
+ (  0.025304   0.029124     0.450616  -0.327392     0.315108  -0.273779   )
+ ( -0.000000  -0.035599     0.601381  -0.052461     0.385156   0.000000   )
+     freq (    2) =      27.679986 [THz] =     923.304959 [cm-1]
+ ( -0.023348  -0.026872     0.488375  -0.354825    -0.290745   0.252612   )
+ ( -0.000000  -0.038582    -0.554885   0.048405     0.417430  -0.000000   )
+     freq (    3) =      32.104651 [THz] =    1070.895888 [cm-1]
+ (  0.039615   0.004353    -0.310691   0.225730    -0.003941   0.035870   )
+ (  0.000000   0.683065     0.015071  -0.016580     0.618504   0.000000   )
+     freq (    4) =      32.104651 [THz] =    1070.895888 [cm-1]
+ ( -0.678978  -0.074606    -0.018127   0.013170     0.067555  -0.614803   )
+ ( -0.000000   0.039853    -0.258314   0.284177     0.036086   0.000000   )
+     freq (    5) =      37.190324 [THz] =    1240.535685 [cm-1]
+ ( -0.000000  -0.000000    -0.340714   0.247543    -0.000000   0.000000   )
+ ( -0.000000  -0.727378     0.000000  -0.000000     0.541810   0.000000   )
+     freq (    6) =      37.190324 [THz] =    1240.535685 [cm-1]
+ ( -0.464169  -0.560023     0.000000  -0.000000    -0.417150   0.345750   )
+ (  0.000000   0.000000     0.420290  -0.026835    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3750      0.0000
+ **************************************************************************
+     freq (    1) =      27.369813 [THz] =     912.958696 [cm-1]
+ (  0.017864   0.012433    -0.232240   0.155178     0.321011  -0.461251   )
+ ( -0.000000   0.008111     0.697786  -0.273652    -0.209416   0.000000   )
+     freq (    2) =      27.369813 [THz] =     912.958696 [cm-1]
+ (  0.006657   0.004633     0.623209  -0.416415     0.119625  -0.171886   )
+ ( -0.000000  -0.021764     0.260031  -0.101977     0.561961   0.000000   )
+     freq (    3) =      32.353966 [THz] =    1079.212141 [cm-1]
+ ( -0.048163   0.657413    -0.000000   0.000000    -0.609092  -0.044623   )
+ (  0.000000   0.000000     0.346024   0.269762     0.000000   0.000000   )
+     freq (    4) =      32.353966 [THz] =    1079.212141 [cm-1]
+ ( -0.000000   0.000000     0.364810  -0.243758    -0.000000  -0.000000   )
+ (  0.000000  -0.659175     0.000000   0.000000    -0.610725   0.000000   )
+     freq (    5) =      37.216601 [THz] =    1241.412172 [cm-1]
+ ( -0.000000  -0.000000    -0.340487   0.227506    -0.000000   0.000000   )
+ (  0.000000  -0.751631    -0.000000  -0.000000     0.517069   0.000000   )
+     freq (    6) =      37.216601 [THz] =    1241.412172 [cm-1]
+ ( -0.573106  -0.486312     0.000000  -0.000000    -0.334548   0.394256   )
+ (  0.000000   0.000000     0.393768  -0.112417    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3500      0.0000
+ **************************************************************************
+     freq (    1) =      27.041856 [THz] =     902.019207 [cm-1]
+ (  0.000712   0.001962    -0.513399   0.314611     0.373834  -0.135710   )
+ (  0.000000   0.002521     0.488333   0.099778    -0.480455   0.000000   )
+     freq (    2) =      27.041856 [THz] =     902.019207 [cm-1]
+ (  0.000860   0.002370     0.424975  -0.260425     0.451617  -0.163947   )
+ (  0.000000  -0.002087     0.589940   0.120539     0.397705   0.000000   )
+     freq (    3) =      32.609271 [THz] =    1087.728186 [cm-1]
+ ( -0.041706   0.049469    -0.409257   0.250793    -0.047713  -0.040226   )
+ (  0.000000   0.627099     0.015605   0.047002     0.604834   0.000000   )
+     freq (    4) =      32.609271 [THz] =    1087.728186 [cm-1]
+ (  0.404211  -0.479444    -0.042227   0.025877     0.462422   0.389860   )
+ ( -0.000000   0.064704    -0.151240  -0.455538     0.062407   0.000000   )
+     freq (    5) =      37.248283 [THz] =    1242.468988 [cm-1]
+ ( -0.278250  -0.724656     0.000000  -0.000000    -0.458555   0.176074   )
+ (  0.000000   0.000000     0.388580   0.071980    -0.000000   0.000000   )
+     freq (    6) =      37.248283 [THz] =    1242.468988 [cm-1]
+ ( -0.000000  -0.000000    -0.336955   0.206486    -0.000000   0.000000   )
+ ( -0.000000  -0.776241    -0.000000   0.000000     0.491197   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3250      0.0000
+ **************************************************************************
+     freq (    1) =      26.706435 [THz] =     890.830772 [cm-1]
+ (  0.001455   0.001715     0.651695  -0.364967    -0.110012   0.093366   )
+ (  0.000000   0.009752    -0.169042   0.033075     0.625702   0.000000   )
+     freq (    2) =      26.706435 [THz] =     890.830772 [cm-1]
+ ( -0.006310  -0.007435     0.150285  -0.084164     0.477056  -0.404872   )
+ (  0.000000   0.002249     0.733032  -0.143428     0.144291   0.000000   )
+     freq (    3) =      32.861388 [THz] =    1096.137915 [cm-1]
+ ( -0.224388   0.097808    -0.413235   0.231422    -0.099723  -0.228782   )
+ (  0.000000   0.546181    -0.021075   0.211212     0.556876   0.000000   )
+     freq (    4) =      32.861388 [THz] =    1096.137915 [cm-1]
+ ( -0.500684   0.218241     0.185197  -0.103715    -0.222515  -0.510488   )
+ (  0.000000  -0.244778    -0.047026   0.471283    -0.249572   0.000000   )
+     freq (    5) =      37.285025 [THz] =    1243.694549 [cm-1]
+ (  0.000000   0.000000     0.329994  -0.184806     0.000000   0.000000   )
+ (  0.000000   0.801043     0.000000  -0.000000    -0.463983   0.000000   )
+     freq (    6) =      37.285025 [THz] =    1243.694549 [cm-1]
+ ( -0.223931  -0.769107     0.000000  -0.000000    -0.445485   0.129706   )
+ (  0.000000   0.000000     0.368500   0.085188    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.3000      0.0000
+ **************************************************************************
+     freq (    1) =      26.371357 [THz] =     879.653779 [cm-1]
+ ( -0.009741  -0.007466     0.503235  -0.256411     0.264633  -0.345249   )
+ (  0.000000   0.013872     0.450908  -0.215360     0.491670   0.000000   )
+     freq (    2) =      26.371357 [THz] =     879.653779 [cm-1]
+ (  0.011010   0.008439     0.445234  -0.226858    -0.299107   0.390224   )
+ ( -0.000000   0.012273    -0.509648   0.243415     0.435003   0.000000   )
+     freq (    3) =      33.103951 [THz] =    1104.228936 [cm-1]
+ ( -0.211305   0.046794    -0.452638   0.230631    -0.051147  -0.230958   )
+ (  0.000000   0.520468    -0.052938   0.204502     0.568876   0.000000   )
+     freq (    4) =      33.103951 [THz] =    1104.228936 [cm-1]
+ ( -0.508157   0.112534     0.188219  -0.095902    -0.123000  -0.555420   )
+ ( -0.000000  -0.216424    -0.127308   0.491798    -0.236553   0.000000   )
+     freq (    5) =      37.326337 [THz] =    1245.072586 [cm-1]
+ (  0.000000  -0.000000     0.319540  -0.162814     0.000000   0.000000   )
+ (  0.000000   0.825791    -0.000000  -0.000000    -0.435264   0.000000   )
+     freq (    6) =      37.326337 [THz] =    1245.072586 [cm-1]
+ (  0.079605   0.821945     0.000000  -0.000000     0.433237  -0.041959   )
+ ( -0.000000  -0.000000    -0.333747  -0.131253    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2750      0.0000
+ **************************************************************************
+     freq (    1) =      26.042831 [THz] =     868.695336 [cm-1]
+ ( -0.014943  -0.018243    -0.030528   0.014074     0.516088  -0.422745   )
+ (  0.000000  -0.001067     0.719290  -0.186986    -0.030175   0.000000   )
+     freq (    2) =      26.042831 [THz] =     868.695336 [cm-1]
+ ( -0.000676  -0.000825     0.674929  -0.311147     0.023344  -0.019122   )
+ ( -0.000000   0.023582     0.032535  -0.008458     0.667128   0.000000   )
+     freq (    3) =      33.332510 [THz] =    1111.852866 [cm-1]
+ ( -0.193881   0.462842    -0.157140   0.072443    -0.549558  -0.230206   )
+ ( -0.000000   0.157655     0.372243   0.405926     0.187192   0.000000   )
+     freq (    4) =      33.332510 [THz] =    1111.852866 [cm-1]
+ (  0.060912  -0.145412    -0.500173   0.230583     0.172656   0.072324   )
+ (  0.000000   0.501809    -0.116949  -0.127531     0.595827   0.000000   )
+     freq (    5) =      37.371561 [THz] =    1246.581084 [cm-1]
+ ( -0.543383  -0.653843    -0.000000   0.000000    -0.311434   0.258820   )
+ (  0.000000  -0.000000     0.325086  -0.086977     0.000000   0.000000   )
+     freq (    6) =      37.371561 [THz] =    1246.581084 [cm-1]
+ (  0.000000   0.000000    -0.305609   0.140887    -0.000000  -0.000000   )
+ ( -0.000000  -0.850162     0.000000   0.000000     0.404943  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2500      0.0000
+ **************************************************************************
+     freq (    1) =      25.726041 [THz] =     858.128351 [cm-1]
+ (  0.026169   0.001131    -0.000015   0.000006    -0.029227   0.676202   )
+ (  0.000000  -0.000001    -0.310615   0.666880    -0.000015   0.000000   )
+     freq (    2) =      25.726041 [THz] =     858.128351 [cm-1]
+ (  0.000001   0.000000     0.679671  -0.281529    -0.000001   0.000015   )
+ ( -0.000000   0.026193    -0.000007   0.000015     0.676833   0.000000   )
+     freq (    3) =      33.543981 [THz] =    1118.906756 [cm-1]
+ (  0.459113   0.131738     0.100262  -0.041530    -0.172164   0.600001   )
+ (  0.000000  -0.087663     0.368174  -0.462687    -0.114565   0.000000   )
+     freq (    4) =      33.543981 [THz] =    1118.906756 [cm-1]
+ (  0.084263   0.024178    -0.546286   0.226279    -0.031598   0.110121   )
+ (  0.000000   0.477640     0.067573  -0.084919     0.624213   0.000000   )
+     freq (    5) =      37.419837 [THz] =    1248.191416 [cm-1]
+ ( -0.753370  -0.442632    -0.000000   0.000000    -0.188952   0.321601   )
+ (  0.000000   0.000000     0.249011  -0.188081     0.000000   0.000000   )
+     freq (    6) =      37.419837 [THz] =    1248.191416 [cm-1]
+ (  0.000000  -0.000000    -0.288305   0.119420    -0.000000  -0.000000   )
+ ( -0.000000  -0.873779     0.000000  -0.000000     0.373001   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2250      0.0000
+ **************************************************************************
+     freq (    1) =      25.425484 [THz] =     848.102847 [cm-1]
+ ( -0.003150  -0.026759    -0.000081   0.000030     0.679370  -0.079975   )
+ (  0.000000  -0.000003     0.708680   0.170610    -0.000081   0.000000   )
+     freq (    2) =      25.425484 [THz] =     848.102847 [cm-1]
+ ( -0.000000  -0.000003     0.683873  -0.252294     0.000081  -0.000010   )
+ (  0.000000   0.026944     0.000084   0.000020     0.684061   0.000000   )
+     freq (    3) =      33.736293 [THz] =    1125.321594 [cm-1]
+ (  0.423025  -0.130704    -0.000000  -0.000000     0.190584   0.616828   )
+ (  0.000000   0.000000     0.033434  -0.621329     0.000000   0.000000   )
+     freq (    4) =      33.736293 [THz] =    1125.321594 [cm-1]
+ ( -0.000000   0.000000    -0.583769   0.215364    -0.000000  -0.000000   )
+ ( -0.000000   0.442757    -0.000000   0.000000     0.645599  -0.000000   )
+     freq (    5) =      37.470097 [THz] =    1249.867886 [cm-1]
+ ( -0.000000   0.000000     0.267833  -0.098809     0.000000  -0.000000   )
+ ( -0.000000   0.896237    -0.000000   0.000000    -0.339503   0.000000   )
+     freq (    6) =      37.470097 [THz] =    1249.867886 [cm-1]
+ ( -0.890764   0.098892    -0.000000  -0.000000     0.037461   0.337430   )
+ (  0.000000  -0.000000     0.068652  -0.277100     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.2000      0.0000
+ **************************************************************************
+     freq (    1) =      25.145164 [THz] =     838.752373 [cm-1]
+ (  0.016468  -0.020544     0.001253  -0.000407     0.538283   0.431466   )
+ ( -0.000000   0.000048     0.397045   0.604771     0.001257   0.000000   )
+     freq (    2) =      25.145164 [THz] =     838.752373 [cm-1]
+ ( -0.000030   0.000037     0.688050  -0.223561    -0.000981  -0.000786   )
+ (  0.000000   0.026330    -0.000723  -0.001102     0.689863   0.000000   )
+     freq (    3) =      33.908169 [THz] =    1131.054768 [cm-1]
+ ( -0.000000   0.000000    -0.609361   0.197993     0.000000  -0.000000   )
+ ( -0.000000   0.397702    -0.000000  -0.000000     0.656743   0.000000   )
+     freq (    4) =      33.908169 [THz] =    1131.054768 [cm-1]
+ (  0.385769  -0.096693    -0.000000   0.000000     0.159672   0.637037   )
+ (  0.000000  -0.000000     0.043900  -0.639214     0.000000   0.000000   )
+     freq (    5) =      37.521063 [THz] =    1251.567939 [cm-1]
+ (  0.678168  -0.617437    -0.000000   0.000000    -0.205058  -0.225227   )
+ (  0.000000   0.000000     0.105854   0.234263     0.000000   0.000000   )
+     freq (    6) =      37.521063 [THz] =    1251.567939 [cm-1]
+ (  0.000000  -0.000000    -0.244487   0.079439    -0.000000  -0.000000   )
+ (  0.000000  -0.917137     0.000000   0.000000     0.304592  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1750      0.0000
+ **************************************************************************
+     freq (    1) =      24.888691 [THz] =     830.197358 [cm-1]
+ ( -0.013365  -0.020756    -0.016459   0.004642     0.583774  -0.375886   )
+ ( -0.000000  -0.000587     0.687338  -0.210495    -0.016517   0.000000   )
+     freq (    2) =      24.888691 [THz] =     830.197358 [cm-1]
+ ( -0.000318  -0.000494     0.691859  -0.195124     0.013888  -0.008942   )
+ (  0.000000   0.024687     0.016351  -0.005008     0.694322   0.000000   )
+     freq (    3) =      34.058955 [THz] =    1136.084457 [cm-1]
+ (  0.000000  -0.000000     0.632123  -0.178277     0.000000  -0.000000   )
+ (  0.000000  -0.350813    -0.000000   0.000000    -0.667508   0.000000   )
+     freq (    4) =      34.058955 [THz] =    1136.084457 [cm-1]
+ (  0.193786   0.292432     0.000000  -0.000000    -0.556425   0.368726   )
+ (  0.000000  -0.000000     0.625407  -0.200571     0.000000   0.000000   )
+     freq (    5) =      37.571286 [THz] =    1253.243196 [cm-1]
+ ( -0.688432   0.634336    -0.000000  -0.000000     0.181922   0.197436   )
+ ( -0.000000  -0.000000    -0.102805  -0.202569     0.000000   0.000000   )
+     freq (    6) =      37.571286 [THz] =    1253.243196 [cm-1]
+ ( -0.000000   0.000000     0.218634  -0.061661    -0.000000   0.000000   )
+ ( -0.000000   0.936120     0.000000  -0.000000    -0.268471   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1500      0.0000
+ **************************************************************************
+     freq (    1) =      24.659325 [THz] =     822.546528 [cm-1]
+ ( -0.000503  -0.003676     0.686051  -0.164706     0.115152  -0.015764   )
+ (  0.000000   0.021979     0.118516   0.011840     0.688486   0.000000   )
+     freq (    2) =      24.659325 [THz] =     822.546528 [cm-1]
+ (  0.002981   0.021776     0.115815  -0.027805    -0.682124   0.093381   )
+ ( -0.000000   0.003710    -0.702051  -0.070134     0.116226   0.000000   )
+     freq (    3) =      34.188478 [THz] =    1140.404860 [cm-1]
+ ( -0.086942  -0.287892    -0.070018   0.016810     0.644773  -0.194719   )
+ ( -0.000000   0.032485    -0.665509   0.038421     0.072755   0.000000   )
+     freq (    4) =      34.188478 [THz] =    1140.404860 [cm-1]
+ ( -0.009392  -0.031098     0.648198  -0.155619     0.069648  -0.021034   )
+ (  0.000000  -0.300734    -0.071888   0.004150    -0.673534   0.000000   )
+     freq (    5) =      37.619197 [THz] =    1254.841326 [cm-1]
+ ( -0.187150   0.934335     0.000000  -0.000000     0.226874   0.045444   )
+ (  0.000000  -0.000000    -0.177979  -0.082338    -0.000000   0.000000   )
+     freq (    6) =      37.619197 [THz] =    1254.841326 [cm-1]
+ ( -0.000000  -0.000000    -0.190684   0.045779     0.000000  -0.000000   )
+ (  0.000000  -0.952894    -0.000000   0.000000     0.231381   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1250      0.0000
+ **************************************************************************
+     freq (    1) =      24.459979 [THz] =     815.897082 [cm-1]
+ ( -0.011538  -0.014936     0.147614  -0.029362     0.542359  -0.418970   )
+ (  0.000000   0.004077     0.623832  -0.310160     0.148055   0.000000   )
+     freq (    2) =      24.459979 [THz] =     815.897082 [cm-1]
+ (  0.002493   0.003227     0.683295  -0.135916    -0.117167   0.090511   )
+ ( -0.000000   0.018874    -0.134768   0.067005     0.685339   0.000000   )
+     freq (    3) =      34.296908 [THz] =    1144.021725 [cm-1]
+ (  0.004690   0.011033     0.668068  -0.132887    -0.029915   0.012715   )
+ (  0.000000  -0.252817     0.031621  -0.006593    -0.685468   0.000000   )
+     freq (    4) =      34.296908 [THz] =    1144.021725 [cm-1]
+ ( -0.098894  -0.232673     0.031680  -0.006302     0.630849  -0.268133   )
+ ( -0.000000  -0.011989    -0.666817   0.139028    -0.032505   0.000000   )
+     freq (    5) =      37.663185 [THz] =    1256.308611 [cm-1]
+ (  0.644962   0.612026    -0.063408   0.012613     0.122479  -0.129070   )
+ (  0.000000  -0.380808    -0.123270   0.087122     0.076208   0.000000   )
+     freq (    6) =      37.663185 [THz] =    1256.308611 [cm-1]
+ ( -0.276233  -0.262127    -0.148049   0.029449    -0.052457   0.055280   )
+ (  0.000000  -0.889130     0.052796  -0.037314     0.177933   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.1000      0.0000
+ **************************************************************************
+     freq (    1) =      24.293206 [THz] =     810.334113 [cm-1]
+ ( -0.004053  -0.013793     0.299679  -0.047465     0.610262  -0.179307   )
+ ( -0.000000   0.006788     0.637272  -0.082471     0.300333   0.000000   )
+     freq (    2) =      24.293206 [THz] =     810.334113 [cm-1]
+ (  0.001914   0.006513     0.634675  -0.100523    -0.288152   0.084665   )
+ ( -0.000000   0.014376    -0.300906   0.038941     0.636058   0.000000   )
+     freq (    3) =      34.384639 [THz] =    1146.948103 [cm-1]
+ ( -0.018295  -0.158126    -0.423663   0.067102     0.540269  -0.062508   )
+ ( -0.000000   0.125998    -0.541434  -0.022696     0.430498  -0.000000   )
+     freq (    4) =      34.384639 [THz] =    1146.948103 [cm-1]
+ ( -0.014481  -0.125164     0.535238  -0.084773     0.427646  -0.049477   )
+ (  0.000000  -0.159181    -0.428568  -0.017965    -0.543873   0.000000   )
+     freq (    5) =      37.701688 [THz] =    1257.592931 [cm-1]
+ ( -0.960472  -0.189805    -0.000000   0.000000    -0.030098   0.152307   )
+ (  0.000000  -0.000000     0.045454  -0.123684     0.000000   0.000000   )
+     freq (    6) =      37.701688 [THz] =    1257.592931 [cm-1]
+ (  0.000000  -0.000000    -0.130149   0.020614    -0.000000  -0.000000   )
+ (  0.000000  -0.979047     0.000000   0.000000     0.155252   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0750      0.0000
+ **************************************************************************
+     freq (    1) =      24.161161 [THz] =     805.929583 [cm-1]
+ ( -0.011926  -0.002410    -0.023927   0.002832     0.139586  -0.690695   )
+ (  0.000000  -0.000414     0.221039  -0.673272    -0.023959   0.000000   )
+     freq (    2) =      24.161161 [THz] =     805.929583 [cm-1]
+ ( -0.000405  -0.000082     0.703716  -0.083290     0.004746  -0.023484   )
+ (  0.000000   0.012167     0.007515  -0.022892     0.704659   0.000000   )
+     freq (    3) =      34.452162 [THz] =    1149.200435 [cm-1]
+ (  0.140495  -0.059294    -0.000000   0.000000     0.271977   0.644445   )
+ ( -0.000000  -0.000000    -0.193984  -0.670697     0.000000   0.000000   )
+     freq (    4) =      34.452162 [THz] =    1149.200435 [cm-1]
+ ( -0.000000  -0.000000    -0.693347   0.082063    -0.000000  -0.000000   )
+ ( -0.000000   0.152495    -0.000000  -0.000000     0.699486   0.000000   )
+     freq (    5) =      37.733282 [THz] =    1258.646812 [cm-1]
+ (  0.000000   0.000000    -0.098317   0.011637    -0.000000  -0.000000   )
+ (  0.000000  -0.988229     0.000000   0.000000     0.116624  -0.000000   )
+     freq (    6) =      37.733282 [THz] =    1258.646812 [cm-1]
+ (  0.901284  -0.405320    -0.000000  -0.000000    -0.047833  -0.106363   )
+ (  0.000000   0.000000     0.029712   0.094440     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0500      0.0000
+ **************************************************************************
+     freq (    1) =      24.065574 [THz] =     802.741128 [cm-1]
+ ( -0.000261  -0.008057    -0.142319   0.011201     0.691344  -0.022395   )
+ (  0.000000  -0.001660     0.692669   0.031995    -0.142409   0.000000   )
+     freq (    2) =      24.065574 [THz] =     802.741128 [cm-1]
+ ( -0.000054  -0.001659     0.691270  -0.054404     0.142334  -0.004611   )
+ (  0.000000   0.008061     0.142607   0.006587     0.691706   0.000000   )
+     freq (    3) =      34.499971 [THz] =    1150.795153 [cm-1]
+ ( -0.000746   0.095516    -0.241480   0.019005    -0.660617  -0.005163   )
+ (  0.000000   0.035050     0.657667   0.056934     0.242414  -0.000000   )
+     freq (    4) =      34.499971 [THz] =    1150.795153 [cm-1]
+ ( -0.000274   0.035049     0.658092  -0.051793    -0.242407  -0.001894   )
+ (  0.000000  -0.095519     0.241324   0.020891    -0.660637   0.000000   )
+     freq (    5) =      37.756768 [THz] =    1259.430215 [cm-1]
+ ( -0.829856   0.548560    -0.000000  -0.000000     0.042913   0.064918   )
+ ( -0.000000  -0.000000    -0.031994  -0.057799     0.000000   0.000000   )
+     freq (    6) =      37.756768 [THz] =    1259.430215 [cm-1]
+ ( -0.000000   0.000000     0.065859  -0.005183     0.000000   0.000000   )
+ ( -0.000000   0.994776     0.000000  -0.000000    -0.077819   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0250      0.0000
+ **************************************************************************
+     freq (    1) =      24.007707 [THz] =     800.810900 [cm-1]
+ (  0.000024   0.004110     0.096234  -0.003781    -0.700290   0.004058   )
+ ( -0.000000   0.000565    -0.700336  -0.023453     0.096250   0.000000   )
+     freq (    2) =      24.007707 [THz] =     800.810900 [cm-1]
+ ( -0.000003  -0.000565     0.700188  -0.027510     0.096248  -0.000558   )
+ (  0.000000   0.004110     0.096254   0.003223     0.700302   0.000000   )
+     freq (    3) =      34.528475 [THz] =    1151.745955 [cm-1]
+ (  0.001897   0.050519    -0.081161   0.003189    -0.701074   0.026324   )
+ (  0.000000   0.005854     0.701437   0.001220     0.081239  -0.000000   )
+     freq (    4) =      34.528475 [THz] =    1151.745955 [cm-1]
+ ( -0.000220  -0.005850    -0.700897   0.027538     0.081182  -0.003048   )
+ (  0.000000   0.050554    -0.081224  -0.000141     0.701568   0.000000   )
+     freq (    5) =      37.771237 [THz] =    1259.912849 [cm-1]
+ ( -0.356781  -0.932791     0.000000   0.000000    -0.036358   0.013906   )
+ ( -0.000000   0.000000     0.031304  -0.010584    -0.000000   0.000000   )
+     freq (    6) =      37.771237 [THz] =    1259.912849 [cm-1]
+ (  0.000000   0.000000     0.033019  -0.001297     0.000000  -0.000000   )
+ (  0.000000   0.998696     0.000000  -0.000000    -0.038926   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =      -1.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      23.988332 [THz] =     800.164610 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.707107  -0.000000   )
+ ( -0.000000  -0.000000    -0.707107  -0.000000     0.000000   0.000000   )
+     freq (    2) =      23.988332 [THz] =     800.164610 [cm-1]
+ ( -0.000000   0.000000     0.707107  -0.000000     0.000000   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.707107   0.000000   )
+     freq (    3) =      34.537945 [THz] =    1152.061845 [cm-1]
+ ( -0.000000   0.000000    -0.000000   0.000000     0.707107   0.000000   )
+ (  0.000000  -0.000000    -0.707107  -0.000000     0.000000   0.000000   )
+     freq (    4) =      34.537945 [THz] =    1152.061845 [cm-1]
+ (  0.000000  -0.000000    -0.707107   0.000000    -0.000000  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.707107   0.000000   )
+     freq (    5) =      37.776124 [THz] =    1260.075860 [cm-1]
+ (  0.312313  -0.011922    -0.000000  -0.000000     0.000000   0.000000   )
+ ( -0.938019  -0.149799    -0.000000  -0.000000     0.000000   0.000000   )
+     freq (    6) =      37.776124 [THz] =    1260.075860 [cm-1]
+ ( -0.949891  -0.004985     0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.306200  -0.062632     0.000000  -0.000000     0.000000   0.000000   )
+ **************************************************************************
diff --git a/user_static/data/diamond/matdyn.out b/user_static/data/diamond/matdyn.out
new file mode 100644
index 0000000..029ba06
--- /dev/null
+++ b/user_static/data/diamond/matdyn.out
@@ -0,0 +1,32 @@
+
+     Program MATDYN v.7.1 starts on  3Jun2024 at 12:18:14 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     245456 MiB available memory on the printing compute node when the environment starts
+
+ mass for atomic type   1 not given; uses mass from file diamond.fc                                                                                                                                                                                                                                                      
+Norm of the difference between old and new effective charges:    0.00000000000000000000
+Norm of the difference between old and new force-constants:   0.00011225854328992850
+
+     MATDYN       :      0.04s CPU      0.05s WALL
+
+
+   This run was terminated on:  12:18:14   3Jun2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/diamond/ph.in b/user_static/data/diamond/ph.in
new file mode 100644
index 0000000..9a4d7b5
--- /dev/null
+++ b/user_static/data/diamond/ph.in
@@ -0,0 +1,13 @@
+diamond
+&inputph
+  outdir='/home/bonacc_m/Documents/phonons/diamond/TMP_diamond'
+  prefix='diamond'
+  fildyn='diamond.dyn',
+  tr2_ph=1d-14,
+  epsil=.true.
+  ldisp=.true.
+  asr=.true.
+  nq1=4
+  nq2=4
+  nq3=4
+/
diff --git a/user_static/data/diamond/ph.out b/user_static/data/diamond/ph.out
new file mode 100644
index 0000000..dbeade6
--- /dev/null
+++ b/user_static/data/diamond/ph.out
@@ -0,0 +1,2617 @@
+
+     Program PHONON v.7.1 starts on  2May2024 at 16:55:56 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     222676 MiB available memory on the printing compute node when the environment starts
+
+     Reading input from C.ph.in
+
+     Reading xml data from directory:
+
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/diamond.save/
+
+     IMPORTANT: XC functional enforced from input :
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+     Any further DFT definition will be discarded
+     Please, verify this is what you really want
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     17                  932      932     173
+     Max          56      56     18                  935      935     175
+     Sum         661     661    211                11191    11191    2085
+
+     Using Slab Decomposition
+
+     Reading collected, re-writing distributed wavefunctions
+
+
+     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
+     (   8 q-points):
+       N         xq(1)         xq(2)         xq(3) 
+       1   0.000000000   0.000000000   0.000000000
+       2  -0.250000000   0.250000000  -0.250000000
+       3   0.500000000  -0.500000000   0.500000000
+       4   0.000000000   0.500000000   0.000000000
+       5   0.750000000  -0.250000000   0.750000000
+       6   0.500000000   0.000000000   0.500000000
+       7   0.000000000  -1.000000000   0.000000000
+       8  -0.500000000  -1.000000000   0.000000000
+
+     Calculation of q =    0.0000000   0.0000000   0.0000000
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.0000000   0.0000000 )
+
+     49 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=    60
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     Mode symmetry, O_h (m-3m)  point group:
+
+
+     Electric field:
+     Dielectric constant
+     Born effective charges in two ways 
+
+
+     Atomic displacements:
+     There are    2 irreducible representations
+
+     Representation     1      3 modes -  To be done
+
+     Representation     2      3 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :      0.14s CPU      0.15s WALL
+
+
+     Electric Fields Calculation
+
+      iter #   1 total cpu time :     2.3 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.077E-08
+
+      iter #   2 total cpu time :     3.2 secs   av.it.:  10.1
+      thresh= 1.038E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.045E-10
+
+      iter #   3 total cpu time :     4.2 secs   av.it.:  10.2
+      thresh= 1.022E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.376E-12
+
+      iter #   4 total cpu time :     5.2 secs   av.it.:  10.4
+      thresh= 2.319E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.933E-15
+
+     End of electric fields calculation
+
+          Dielectric constant in cartesian axis 
+
+          (       5.685455892      -0.000000000      -0.000000000 )
+          (      -0.000000000       5.685455892       0.000000000 )
+          (      -0.000000000       0.000000000       5.685455892 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   C  Mean Z*:        0.00031
+      Ex  (        0.00031       -0.00000       -0.00000 )
+      Ey  (       -0.00000        0.00031        0.00000 )
+      Ez  (       -0.00000        0.00000        0.00031 )
+           atom      2   C  Mean Z*:        0.00031
+      Ex  (        0.00031       -0.00000       -0.00000 )
+      Ey  (       -0.00000        0.00031        0.00000 )
+      Ez  (       -0.00000        0.00000        0.00031 )
+
+          Effective charges Sum: Mean:        0.00063
+              0.00063       -0.00000       -0.00000
+             -0.00000        0.00063        0.00000
+             -0.00000        0.00000        0.00063
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   C  Mean Z*:       -0.00000
+      E*x (       -0.00000        0.00000       -0.00000 )
+      E*y (        0.00000       -0.00000        0.00000 )
+      E*z (        0.00000        0.00000       -0.00000 )
+           atom      2   C  Mean Z*:        0.00000
+      E*x (        0.00000       -0.00000        0.00000 )
+      E*y (       -0.00000        0.00000       -0.00000 )
+      E*z (        0.00000       -0.00000        0.00000 )
+
+
+     Representation #   1 modes #   1   2   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :     6.1 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.956E-07
+
+      iter #   2 total cpu time :     7.2 secs   av.it.:  10.2
+      thresh= 4.423E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.441E-10
+
+      iter #   3 total cpu time :     8.3 secs   av.it.:  10.1
+      thresh= 2.333E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.226E-11
+
+      iter #   4 total cpu time :     9.1 secs   av.it.:   9.4
+      thresh= 3.502E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.017E-14
+
+      iter #   5 total cpu time :    10.2 secs   av.it.:  10.3
+      thresh= 1.008E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.210E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   4   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    10.9 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.257E-07
+
+      iter #   2 total cpu time :    11.9 secs   av.it.:  10.4
+      thresh= 3.545E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.880E-10
+
+      iter #   3 total cpu time :    12.9 secs   av.it.:   9.5
+      thresh= 1.371E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.645E-11
+
+      iter #   4 total cpu time :    13.8 secs   av.it.:   9.7
+      thresh= 4.056E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.080E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    1
+     List of q in the star:
+          1   0.000000000   0.000000000   0.000000000
+
+          Dielectric constant in cartesian axis 
+
+          (       5.685455892      -0.000000000      -0.000000000 )
+          (      -0.000000000       5.685455892       0.000000000 )
+          (      -0.000000000       0.000000000       5.685455892 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   C  Mean Z*:        0.00031
+      Ex  (        0.00031       -0.00000       -0.00000 )
+      Ey  (       -0.00000        0.00031        0.00000 )
+      Ez  (       -0.00000        0.00000        0.00031 )
+           atom      2   C  Mean Z*:        0.00031
+      Ex  (        0.00031       -0.00000       -0.00000 )
+      Ey  (       -0.00000        0.00031        0.00000 )
+      Ez  (       -0.00000        0.00000        0.00031 )
+
+          Effective charges Sum: Mean:        0.00063
+              0.00063       -0.00000       -0.00000
+             -0.00000        0.00063        0.00000
+             -0.00000        0.00000        0.00063
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   C  Mean Z*:       -0.00000
+      E*x (       -0.00000        0.00000       -0.00000 )
+      E*y (        0.00000       -0.00000        0.00000 )
+      E*z (        0.00000        0.00000       -0.00000 )
+           atom      2   C  Mean Z*:        0.00000
+      E*x (        0.00000       -0.00000        0.00000 )
+      E*y (       -0.00000        0.00000       -0.00000 )
+      E*z (        0.00000       -0.00000        0.00000 )
+
+          Effective charges (d P / du) in cartesian axis 
+
+           atom      1   C  
+      Px  (        0.00056       -0.00000       -0.00000 )
+      Py  (        0.00000        0.00056       -0.00000 )
+      Pz  (       -0.00000       -0.00000        0.00056 )
+           atom      2   C  
+      Px  (        0.00056       -0.00000       -0.00000 )
+      Py  (       -0.00000        0.00056        0.00000 )
+      Pz  (        0.00000       -0.00000        0.00056 )
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       0.715965 [THz] =      23.882037 [cm-1]
+     freq (    2) =       0.715965 [THz] =      23.882037 [cm-1]
+     freq (    3) =       0.715965 [THz] =      23.882037 [cm-1]
+     freq (    4) =      41.163460 [THz] =    1373.065243 [cm-1]
+     freq (    5) =      41.163460 [THz] =    1373.065243 [cm-1]
+     freq (    6) =      41.163460 [THz] =    1373.065243 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, O_h (m-3m)  point group:
+
+     freq (   1-   3) =         23.9  [cm-1]   --> T_1u G_15  G_4- I  
+     freq (   4-   6) =       1373.1  [cm-1]   --> T_2g G_25' G_5+ R  
+
+     Calculation of q =   -0.2500000   0.2500000  -0.2500000
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     18                  932      932     185
+     Max          56      56     19                  935      935     187
+     Sum         661     661    223                11191    11191    2229
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   816
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.18 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is        4.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.2500000   0.2500000  -0.2500000 )
+
+      6 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=   816
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     Mode symmetry, C_3v (3m)   point group:
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :     17.22s CPU     18.22s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    19.8 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.906E-04
+
+      iter #   2 total cpu time :    21.5 secs   av.it.:   8.2
+      thresh= 3.147E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.678E-03
+
+      iter #   3 total cpu time :    23.1 secs   av.it.:   7.0
+      thresh= 6.065E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.590E-08
+
+      iter #   4 total cpu time :    25.0 secs   av.it.:   9.2
+      thresh= 3.097E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.268E-08
+
+      iter #   5 total cpu time :    26.9 secs   av.it.:   8.8
+      thresh= 1.126E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.030E-11
+
+      iter #   6 total cpu time :    28.9 secs   av.it.:   9.1
+      thresh= 7.765E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.514E-12
+
+      iter #   7 total cpu time :    30.8 secs   av.it.:   8.6
+      thresh= 1.874E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.674E-12
+
+      iter #   8 total cpu time :    32.5 secs   av.it.:   7.5
+      thresh= 1.294E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.634E-13
+
+      iter #   9 total cpu time :    34.2 secs   av.it.:   8.1
+      thresh= 6.028E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.355E-13
+
+      iter #  10 total cpu time :    35.8 secs   av.it.:   7.5
+      thresh= 4.853E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.748E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    37.4 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.906E-04
+
+      iter #   2 total cpu time :    39.4 secs   av.it.:   8.2
+      thresh= 3.147E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.678E-03
+
+      iter #   3 total cpu time :    40.9 secs   av.it.:   7.0
+      thresh= 6.065E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.590E-08
+
+      iter #   4 total cpu time :    42.8 secs   av.it.:   9.2
+      thresh= 3.097E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.268E-08
+
+      iter #   5 total cpu time :    44.5 secs   av.it.:   8.8
+      thresh= 1.126E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.030E-11
+
+      iter #   6 total cpu time :    46.4 secs   av.it.:   9.1
+      thresh= 7.765E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.514E-12
+
+      iter #   7 total cpu time :    48.4 secs   av.it.:   8.6
+      thresh= 1.874E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.674E-12
+
+      iter #   8 total cpu time :    50.1 secs   av.it.:   7.5
+      thresh= 1.294E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.634E-13
+
+      iter #   9 total cpu time :    51.8 secs   av.it.:   8.1
+      thresh= 6.028E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.355E-13
+
+      iter #  10 total cpu time :    53.4 secs   av.it.:   7.5
+      thresh= 4.853E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.748E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    56.3 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.508E-07
+
+      iter #   2 total cpu time :    60.3 secs   av.it.:  10.1
+      thresh= 6.714E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.807E-10
+
+      iter #   3 total cpu time :    64.3 secs   av.it.:   9.9
+      thresh= 2.794E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.919E-11
+
+      iter #   4 total cpu time :    68.2 secs   av.it.:   9.3
+      thresh= 6.260E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.089E-12
+
+      iter #   5 total cpu time :    72.0 secs   av.it.:   9.2
+      thresh= 1.043E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.312E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    75.0 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.508E-07
+
+      iter #   2 total cpu time :    79.1 secs   av.it.:  10.0
+      thresh= 6.714E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.803E-10
+
+      iter #   3 total cpu time :    83.1 secs   av.it.:   9.8
+      thresh= 2.793E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.919E-11
+
+      iter #   4 total cpu time :    86.8 secs   av.it.:   9.2
+      thresh= 6.260E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.088E-12
+
+      iter #   5 total cpu time :    90.6 secs   av.it.:   9.1
+      thresh= 1.043E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.312E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    8
+     List of q in the star:
+          1  -0.250000000   0.250000000  -0.250000000
+          2   0.250000000  -0.250000000  -0.250000000
+          3   0.250000000  -0.250000000   0.250000000
+          4   0.250000000   0.250000000   0.250000000
+          5  -0.250000000  -0.250000000  -0.250000000
+          6  -0.250000000  -0.250000000   0.250000000
+          7  -0.250000000   0.250000000   0.250000000
+          8   0.250000000   0.250000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.250000000   0.250000000  -0.250000000 ) 
+
+ **************************************************************************
+     freq (    1) =      12.612427 [THz] =     420.705266 [cm-1]
+     freq (    2) =      12.612427 [THz] =     420.705266 [cm-1]
+     freq (    3) =      21.994840 [THz] =     733.668897 [cm-1]
+     freq (    4) =      39.596700 [THz] =    1320.803756 [cm-1]
+     freq (    5) =      39.596700 [THz] =    1320.803756 [cm-1]
+     freq (    6) =      41.292355 [THz] =    1377.364714 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_3v (3m)   point group:
+
+     freq (   1-   2) =        420.7  [cm-1]   --> E    L_3           
+     freq (   3-   3) =        733.7  [cm-1]   --> A_1  L_1           
+     freq (   4-   5) =       1320.8  [cm-1]   --> E    L_3           
+     freq (   6-   6) =       1377.4  [cm-1]   --> A_1  L_1           
+
+     Calculation of q =    0.5000000  -0.5000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     20                  932      932     201
+     Max          56      56     21                  935      935     203
+     Sum         661     661    241                11191    11191    2421
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   408
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.18 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is        6.6 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000  -0.5000000   0.5000000 )
+
+     13 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=   408
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   1m27.28s CPU   1m32.92s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    93.7 secs   av.it.:   6.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.021E-05
+
+      iter #   2 total cpu time :    94.7 secs   av.it.:   8.6
+      thresh= 4.495E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.889E-06
+
+      iter #   3 total cpu time :    95.6 secs   av.it.:   8.2
+      thresh= 2.809E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.301E-08
+
+      iter #   4 total cpu time :    96.5 secs   av.it.:   8.1
+      thresh= 1.140E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.882E-11
+
+      iter #   5 total cpu time :    97.4 secs   av.it.:   8.2
+      thresh= 4.338E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.531E-13
+
+      iter #   6 total cpu time :    98.3 secs   av.it.:   8.1
+      thresh= 7.437E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.742E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    99.0 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.994E-04
+
+      iter #   2 total cpu time :   100.0 secs   av.it.:   8.9
+      thresh= 1.412E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.891E-04
+
+      iter #   3 total cpu time :   101.0 secs   av.it.:   8.2
+      thresh= 1.375E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.604E-07
+
+      iter #   4 total cpu time :   101.9 secs   av.it.:   8.7
+      thresh= 5.103E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.985E-10
+
+      iter #   5 total cpu time :   102.8 secs   av.it.:   8.6
+      thresh= 1.409E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.030E-11
+
+      iter #   6 total cpu time :   103.7 secs   av.it.:   8.4
+      thresh= 3.209E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.685E-14
+
+      iter #   7 total cpu time :   104.6 secs   av.it.:   8.8
+      thresh= 3.112E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.475E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   106.1 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.255E-07
+
+      iter #   2 total cpu time :   108.2 secs   av.it.:   9.8
+      thresh= 9.621E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.830E-09
+
+      iter #   3 total cpu time :   110.2 secs   av.it.:   9.7
+      thresh= 4.277E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.658E-11
+
+      iter #   4 total cpu time :   112.3 secs   av.it.:   9.2
+      thresh= 6.825E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.510E-13
+
+      iter #   5 total cpu time :   114.3 secs   av.it.:   9.7
+      thresh= 3.886E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.292E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   115.8 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.403E-07
+
+      iter #   2 total cpu time :   117.8 secs   av.it.:   9.9
+      thresh= 3.746E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.474E-10
+
+      iter #   3 total cpu time :   119.8 secs   av.it.:   9.7
+      thresh= 2.544E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.007E-11
+
+      iter #   4 total cpu time :   121.7 secs   av.it.:   9.2
+      thresh= 5.483E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.930E-14
+
+      iter #   5 total cpu time :   123.8 secs   av.it.:   9.8
+      thresh= 2.220E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.775E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    4
+     List of q in the star:
+          1   0.500000000  -0.500000000   0.500000000
+          2   0.500000000   0.500000000   0.500000000
+          3  -0.500000000   0.500000000   0.500000000
+          4   0.500000000   0.500000000  -0.500000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000  -0.500000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =      16.747057 [THz] =     558.621707 [cm-1]
+     freq (    2) =      16.747057 [THz] =     558.621707 [cm-1]
+     freq (    3) =      33.798573 [THz] =    1127.399039 [cm-1]
+     freq (    4) =      38.461731 [THz] =    1282.945238 [cm-1]
+     freq (    5) =      38.461731 [THz] =    1282.945238 [cm-1]
+     freq (    6) =      38.836262 [THz] =    1295.438263 [cm-1]
+ **************************************************************************
+
+     Calculation of q =    0.0000000   0.5000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     18                  932      932     185
+     Max          56      56     19                  935      935     187
+     Sum         661     661    223                11191    11191    2229
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   576
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.18 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is        9.6 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.5000000   0.0000000 )
+
+      8 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=   576
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     Mode symmetry, C_4v (4mm)  point group:
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   1m59.24s CPU   2m 6.93s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   128.1 secs   av.it.:   7.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-03
+
+      iter #   2 total cpu time :   129.4 secs   av.it.:   8.3
+      thresh= 3.536E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.175E-03
+
+      iter #   3 total cpu time :   130.5 secs   av.it.:   7.3
+      thresh= 6.461E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.085E-07
+
+      iter #   4 total cpu time :   131.8 secs   av.it.:   8.1
+      thresh= 3.294E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.547E-10
+
+      iter #   5 total cpu time :   133.0 secs   av.it.:   8.1
+      thresh= 2.355E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.079E-11
+
+      iter #   6 total cpu time :   134.2 secs   av.it.:   8.4
+      thresh= 3.285E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.580E-14
+
+      iter #   7 total cpu time :   135.4 secs   av.it.:   8.7
+      thresh= 2.362E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.013E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   136.4 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.250E-06
+
+      iter #   2 total cpu time :   137.8 secs   av.it.:   9.2
+      thresh= 2.291E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.442E-07
+
+      iter #   3 total cpu time :   139.1 secs   av.it.:   9.0
+      thresh= 9.188E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.657E-08
+
+      iter #   4 total cpu time :   140.4 secs   av.it.:   8.9
+      thresh= 1.912E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.819E-11
+
+      iter #   5 total cpu time :   141.7 secs   av.it.:   8.7
+      thresh= 8.258E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.170E-12
+
+      iter #   6 total cpu time :   143.0 secs   av.it.:   8.5
+      thresh= 1.082E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.892E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   145.1 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.997E-07
+
+      iter #   2 total cpu time :   148.0 secs   av.it.:   9.9
+      thresh= 9.485E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.187E-09
+
+      iter #   3 total cpu time :   150.8 secs   av.it.:   9.8
+      thresh= 8.478E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.884E-11
+
+      iter #   4 total cpu time :   153.5 secs   av.it.:   9.5
+      thresh= 7.671E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.656E-12
+
+      iter #   5 total cpu time :   156.2 secs   av.it.:   9.2
+      thresh= 1.287E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.859E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   158.2 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.078E-07
+
+      iter #   2 total cpu time :   161.0 secs   av.it.:   9.9
+      thresh= 7.796E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.983E-09
+
+      iter #   3 total cpu time :   163.8 secs   av.it.:   9.9
+      thresh= 7.059E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.988E-11
+
+      iter #   4 total cpu time :   166.5 secs   av.it.:   9.6
+      thresh= 7.738E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.824E-12
+
+      iter #   5 total cpu time :   169.1 secs   av.it.:   9.2
+      thresh= 1.351E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.703E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.000000000   0.500000000   0.000000000
+          2   0.000000000  -0.500000000   0.000000000
+          3   0.500000000   0.000000000   0.000000000
+          4   0.000000000   0.000000000   0.500000000
+          5   0.000000000   0.000000000  -0.500000000
+          6  -0.500000000   0.000000000   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.500000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =      16.585062 [THz] =     553.218133 [cm-1]
+     freq (    2) =      16.585062 [THz] =     553.218133 [cm-1]
+     freq (    3) =      23.555238 [THz] =     785.718160 [cm-1]
+     freq (    4) =      38.255053 [THz] =    1276.051207 [cm-1]
+     freq (    5) =      38.255053 [THz] =    1276.051207 [cm-1]
+     freq (    6) =      41.716237 [THz] =    1391.503882 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_4v (4mm)  point group:
+
+     freq (   1-   2) =        553.2  [cm-1]   --> E    G_5 D_5       
+     freq (   3-   3) =        785.7  [cm-1]   --> A_1  G_1 D_1       
+     freq (   4-   5) =       1276.1  [cm-1]   --> E    G_5 D_5       
+     freq (   6-   6) =       1391.5  [cm-1]   --> B_2  G_4 D_2'      
+
+     Calculation of q =    0.7500000  -0.2500000   0.7500000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     21                  932      932     219
+     Max          56      56     22                  935      935     221
+     Sum         661     661    253                11191    11191    2637
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  2176
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.19 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is       21.5 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.7500000  -0.2500000   0.7500000 )
+
+      2 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=  2176
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     Mode symmetry, C_s (m)     point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   2m50.45s CPU   3m 1.35s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   185.5 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.258E-05
+
+      iter #   2 total cpu time :   190.4 secs   av.it.:   9.1
+      thresh= 8.519E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.152E-05
+
+      iter #   3 total cpu time :   195.0 secs   av.it.:   8.4
+      thresh= 7.843E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.776E-07
+
+      iter #   4 total cpu time :   199.9 secs   av.it.:   8.8
+      thresh= 5.269E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.839E-09
+
+      iter #   5 total cpu time :   204.8 secs   av.it.:   9.0
+      thresh= 6.956E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.443E-10
+
+      iter #   6 total cpu time :   209.9 secs   av.it.:   9.1
+      thresh= 1.201E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.423E-12
+
+      iter #   7 total cpu time :   214.6 secs   av.it.:   8.7
+      thresh= 1.850E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.220E-14
+
+      iter #   8 total cpu time :   219.4 secs   av.it.:   8.9
+      thresh= 2.285E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.121E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   223.5 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.480E-05
+
+      iter #   2 total cpu time :   228.6 secs   av.it.:   9.0
+      thresh= 6.693E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.585E-05
+
+      iter #   3 total cpu time :   233.5 secs   av.it.:   8.3
+      thresh= 5.987E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.204E-07
+
+      iter #   4 total cpu time :   238.5 secs   av.it.:   8.9
+      thresh= 4.695E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.252E-09
+
+      iter #   5 total cpu time :   243.7 secs   av.it.:   9.2
+      thresh= 3.538E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.076E-10
+
+      iter #   6 total cpu time :   248.6 secs   av.it.:   8.9
+      thresh= 1.441E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.758E-12
+
+      iter #   7 total cpu time :   253.5 secs   av.it.:   8.9
+      thresh= 2.785E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.723E-14
+
+      iter #   8 total cpu time :   258.4 secs   av.it.:   8.7
+      thresh= 3.118E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.939E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   262.5 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.409E-05
+
+      iter #   2 total cpu time :   267.7 secs   av.it.:   9.1
+      thresh= 6.640E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.458E-05
+
+      iter #   3 total cpu time :   272.5 secs   av.it.:   8.5
+      thresh= 5.881E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.717E-07
+
+      iter #   4 total cpu time :   277.3 secs   av.it.:   8.8
+      thresh= 5.212E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.360E-09
+
+      iter #   5 total cpu time :   282.2 secs   av.it.:   8.9
+      thresh= 7.975E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.919E-10
+
+      iter #   6 total cpu time :   287.1 secs   av.it.:   9.0
+      thresh= 1.385E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.847E-12
+
+      iter #   7 total cpu time :   292.1 secs   av.it.:   8.8
+      thresh= 1.961E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.050E-14
+
+      iter #   8 total cpu time :   297.2 secs   av.it.:   8.9
+      thresh= 2.837E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.066E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   301.2 secs   av.it.:   6.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.631E-05
+
+      iter #   2 total cpu time :   306.3 secs   av.it.:   9.2
+      thresh= 4.038E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.910E-06
+
+      iter #   3 total cpu time :   311.3 secs   av.it.:   8.6
+      thresh= 2.985E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.668E-07
+
+      iter #   4 total cpu time :   316.2 secs   av.it.:   8.5
+      thresh= 5.166E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.842E-09
+
+      iter #   5 total cpu time :   322.1 secs   av.it.:   9.0
+      thresh= 6.198E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.898E-10
+
+      iter #   6 total cpu time :   329.4 secs   av.it.:   9.0
+      thresh= 1.702E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.151E-12
+
+      iter #   7 total cpu time :   336.6 secs   av.it.:   9.0
+      thresh= 2.480E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.469E-13
+
+      iter #   8 total cpu time :   343.9 secs   av.it.:   8.9
+      thresh= 3.833E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.009E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   349.7 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.522E-06
+
+      iter #   2 total cpu time :   357.2 secs   av.it.:   9.0
+      thresh= 1.877E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.308E-08
+
+      iter #   3 total cpu time :   364.6 secs   av.it.:   9.0
+      thresh= 2.076E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.631E-10
+
+      iter #   4 total cpu time :   372.1 secs   av.it.:   8.8
+      thresh= 1.622E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.768E-12
+
+      iter #   5 total cpu time :   379.5 secs   av.it.:   8.4
+      thresh= 2.601E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.878E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   385.5 secs   av.it.:   6.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.522E-06
+
+      iter #   2 total cpu time :   393.4 secs   av.it.:   9.0
+      thresh= 1.877E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.308E-08
+
+      iter #   3 total cpu time :   400.9 secs   av.it.:   9.0
+      thresh= 2.076E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.631E-10
+
+      iter #   4 total cpu time :   406.0 secs   av.it.:   8.8
+      thresh= 1.622E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.768E-12
+
+      iter #   5 total cpu time :   410.7 secs   av.it.:   8.4
+      thresh= 2.601E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.877E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   24
+     List of q in the star:
+          1   0.750000000  -0.250000000   0.750000000
+          2   0.750000000  -0.250000000  -0.750000000
+          3  -0.750000000  -0.250000000  -0.750000000
+          4  -0.750000000  -0.250000000   0.750000000
+          5  -0.750000000   0.250000000  -0.750000000
+          6  -0.250000000   0.750000000  -0.750000000
+          7  -0.750000000   0.750000000  -0.250000000
+          8   0.750000000   0.250000000   0.750000000
+          9  -0.750000000   0.250000000   0.750000000
+         10   0.750000000   0.250000000  -0.750000000
+         11  -0.750000000   0.750000000   0.250000000
+         12  -0.250000000   0.750000000   0.750000000
+         13   0.250000000   0.750000000  -0.750000000
+         14  -0.250000000  -0.750000000  -0.750000000
+         15   0.750000000   0.750000000  -0.250000000
+         16   0.750000000  -0.750000000   0.250000000
+         17  -0.750000000  -0.750000000  -0.250000000
+         18   0.250000000  -0.750000000   0.750000000
+         19  -0.750000000  -0.750000000   0.250000000
+         20   0.250000000   0.750000000   0.750000000
+         21  -0.250000000  -0.750000000   0.750000000
+         22   0.750000000   0.750000000   0.250000000
+         23   0.250000000  -0.750000000  -0.750000000
+         24   0.750000000  -0.750000000  -0.250000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.750000000  -0.250000000   0.750000000 ) 
+
+ **************************************************************************
+     freq (    1) =      20.965399 [THz] =     699.330445 [cm-1]
+     freq (    2) =      25.663054 [THz] =     856.027328 [cm-1]
+     freq (    3) =      30.577737 [THz] =    1019.963504 [cm-1]
+     freq (    4) =      36.298122 [THz] =    1210.775016 [cm-1]
+     freq (    5) =      36.636843 [THz] =    1222.073545 [cm-1]
+     freq (    6) =      39.263904 [THz] =    1309.702860 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_s (m)     point group:
+
+     freq (   1-   1) =        699.3  [cm-1]   --> A''                
+     freq (   2-   2) =        856.0  [cm-1]   --> A'                 
+     freq (   3-   3) =       1020.0  [cm-1]   --> A'                 
+     freq (   4-   4) =       1210.8  [cm-1]   --> A''                
+     freq (   5-   5) =       1222.1  [cm-1]   --> A'                 
+     freq (   6-   6) =       1309.7  [cm-1]   --> A'                 
+
+     Calculation of q =    0.5000000   0.0000000   0.5000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     20                  932      932     199
+     Max          56      56     21                  935      935     201
+     Sum         661     661    241                11191    11191    2397
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=  1088
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.18 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is       27.6 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.5000000   0.0000000   0.5000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=  1088
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   6m33.52s CPU   6m56.94s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   419.0 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.981E-04
+
+      iter #   2 total cpu time :   421.5 secs   av.it.:   8.7
+      thresh= 1.407E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.821E-04
+
+      iter #   3 total cpu time :   423.8 secs   av.it.:   8.0
+      thresh= 1.680E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.159E-07
+
+      iter #   4 total cpu time :   426.3 secs   av.it.:   8.8
+      thresh= 3.405E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.017E-09
+
+      iter #   5 total cpu time :   428.9 secs   av.it.:   8.5
+      thresh= 3.189E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.349E-12
+
+      iter #   6 total cpu time :   431.5 secs   av.it.:   8.6
+      thresh= 3.058E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.043E-13
+
+      iter #   7 total cpu time :   434.0 secs   av.it.:   8.7
+      thresh= 3.229E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.943E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   436.0 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.065E-04
+
+      iter #   2 total cpu time :   438.7 secs   av.it.:   8.9
+      thresh= 1.032E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.398E-04
+
+      iter #   3 total cpu time :   440.9 secs   av.it.:   8.0
+      thresh= 1.182E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.055E-07
+
+      iter #   4 total cpu time :   443.4 secs   av.it.:   8.8
+      thresh= 5.527E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.360E-09
+
+      iter #   5 total cpu time :   445.7 secs   av.it.:   8.6
+      thresh= 3.688E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.674E-12
+
+      iter #   6 total cpu time :   448.2 secs   av.it.:   8.4
+      thresh= 3.110E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.175E-13
+
+      iter #   7 total cpu time :   450.5 secs   av.it.:   8.7
+      thresh= 3.427E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.581E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   452.5 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.077E-06
+
+      iter #   2 total cpu time :   455.0 secs   av.it.:   8.9
+      thresh= 2.019E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.506E-08
+
+      iter #   3 total cpu time :   457.4 secs   av.it.:   8.9
+      thresh= 1.227E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.197E-10
+
+      iter #   4 total cpu time :   459.8 secs   av.it.:   8.5
+      thresh= 1.482E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.688E-12
+
+      iter #   5 total cpu time :   462.2 secs   av.it.:   8.3
+      thresh= 1.640E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.600E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   464.1 secs   av.it.:   6.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.495E-07
+
+      iter #   2 total cpu time :   466.8 secs   av.it.:   9.0
+      thresh= 6.705E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.398E-09
+
+      iter #   3 total cpu time :   469.4 secs   av.it.:   8.9
+      thresh= 5.829E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.771E-11
+
+      iter #   4 total cpu time :   471.6 secs   av.it.:   8.1
+      thresh= 9.885E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.902E-14
+
+      iter #   5 total cpu time :   474.2 secs   av.it.:   9.3
+      thresh= 1.703E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.102E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   476.2 secs   av.it.:   6.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.428E-05
+
+      iter #   2 total cpu time :   479.0 secs   av.it.:   9.2
+      thresh= 3.779E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.092E-06
+
+      iter #   3 total cpu time :   481.5 secs   av.it.:   8.9
+      thresh= 2.023E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.496E-08
+
+      iter #   4 total cpu time :   483.8 secs   av.it.:   8.9
+      thresh= 2.344E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.188E-11
+
+      iter #   5 total cpu time :   486.4 secs   av.it.:   8.6
+      thresh= 8.478E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.760E-12
+
+      iter #   6 total cpu time :   488.8 secs   av.it.:   8.4
+      thresh= 1.327E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.315E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   490.7 secs   av.it.:   6.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.439E-06
+
+      iter #   2 total cpu time :   493.3 secs   av.it.:   9.3
+      thresh= 2.107E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.296E-06
+
+      iter #   3 total cpu time :   495.8 secs   av.it.:   8.9
+      thresh= 1.138E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.883E-08
+
+      iter #   4 total cpu time :   498.2 secs   av.it.:   9.0
+      thresh= 1.372E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.210E-11
+
+      iter #   5 total cpu time :   500.6 secs   av.it.:   9.0
+      thresh= 7.880E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.367E-12
+
+      iter #   6 total cpu time :   503.0 secs   av.it.:   8.6
+      thresh= 1.538E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.465E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =   12
+     List of q in the star:
+          1   0.500000000   0.000000000   0.500000000
+          2  -0.500000000   0.000000000   0.500000000
+          3  -0.500000000   0.000000000  -0.500000000
+          4   0.500000000   0.000000000  -0.500000000
+          5   0.000000000   0.500000000  -0.500000000
+          6  -0.500000000   0.500000000   0.000000000
+          7   0.000000000   0.500000000   0.500000000
+          8   0.000000000  -0.500000000  -0.500000000
+          9   0.500000000   0.500000000   0.000000000
+         10   0.500000000  -0.500000000   0.000000000
+         11  -0.500000000  -0.500000000   0.000000000
+         12   0.000000000  -0.500000000   0.500000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.500000000   0.000000000   0.500000000 ) 
+
+ **************************************************************************
+     freq (    1) =      18.991445 [THz] =     633.486405 [cm-1]
+     freq (    2) =      24.244139 [THz] =     808.697415 [cm-1]
+     freq (    3) =      27.217468 [THz] =     907.877006 [cm-1]
+     freq (    4) =      37.067257 [THz] =    1236.430598 [cm-1]
+     freq (    5) =      38.217411 [THz] =    1274.795627 [cm-1]
+     freq (    6) =      39.459181 [THz] =    1316.216606 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =        633.5  [cm-1]   --> B_1  D_3  S_3      
+     freq (   2-   2) =        808.7  [cm-1]   --> B_2  D_4  S_4      
+     freq (   3-   3) =        907.9  [cm-1]   --> A_1  D_1  S_1      
+     freq (   4-   4) =       1236.4  [cm-1]   --> A_2  D_2  S_2      
+     freq (   5-   5) =       1274.8  [cm-1]   --> B_2  D_4  S_4      
+     freq (   6-   6) =       1316.2  [cm-1]   --> A_1  D_1  S_1      
+
+     Calculation of q =    0.0000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     20                  932      932     201
+     Max          56      56     21                  935      935     203
+     Sum         661     661    241                11191    11191    2421
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   288
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.19 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is       29.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000  -1.0000000   0.0000000 )
+
+     17 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=   288
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+
+     Atomic displacements:
+     There are    3 irreducible representations
+
+     Representation     1      2 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   7m56.34s CPU   8m24.66s WALL
+
+
+
+     Representation #   1 modes #   1   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   505.8 secs   av.it.:   6.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.525E-06
+
+      iter #   2 total cpu time :   507.3 secs   av.it.:   9.9
+      thresh= 1.589E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.131E-08
+
+      iter #   3 total cpu time :   508.7 secs   av.it.:   9.8
+      thresh= 2.476E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.067E-11
+
+      iter #   4 total cpu time :   510.3 secs   av.it.:   9.4
+      thresh= 8.407E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.797E-13
+
+      iter #   5 total cpu time :   511.7 secs   av.it.:   9.6
+      thresh= 5.288E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.023E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   512.9 secs   av.it.:   6.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-05
+
+      iter #   2 total cpu time :   514.4 secs   av.it.:   9.9
+      thresh= 3.535E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.799E-06
+
+      iter #   3 total cpu time :   515.8 secs   av.it.:   9.4
+      thresh= 2.607E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.883E-08
+
+      iter #   4 total cpu time :   517.2 secs   av.it.:   9.6
+      thresh= 1.372E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.490E-11
+
+      iter #   5 total cpu time :   518.5 secs   av.it.:   9.5
+      thresh= 8.655E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.890E-13
+
+      iter #   6 total cpu time :   519.9 secs   av.it.:   8.9
+      thresh= 6.237E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.134E-14
+
+      iter #   7 total cpu time :   521.4 secs   av.it.:   9.6
+      thresh= 1.065E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.316E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   522.5 secs   av.it.:   6.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.646E-08
+
+      iter #   2 total cpu time :   524.1 secs   av.it.:  10.1
+      thresh= 1.627E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.708E-10
+
+      iter #   3 total cpu time :   525.7 secs   av.it.:  10.1
+      thresh= 2.776E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.277E-11
+
+      iter #   4 total cpu time :   527.1 secs   av.it.:   9.3
+      thresh= 3.573E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.928E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    3
+     List of q in the star:
+          1   0.000000000  -1.000000000   0.000000000
+          2  -1.000000000   0.000000000   0.000000000
+          3   0.000000000   0.000000000  -1.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =      23.988331 [THz] =     800.164609 [cm-1]
+     freq (    2) =      23.988331 [THz] =     800.164609 [cm-1]
+     freq (    3) =      34.537945 [THz] =    1152.061844 [cm-1]
+     freq (    4) =      34.537945 [THz] =    1152.061844 [cm-1]
+     freq (    5) =      37.776124 [THz] =    1260.075859 [cm-1]
+     freq (    6) =      37.776124 [THz] =    1260.075859 [cm-1]
+ **************************************************************************
+
+     Calculation of q =   -0.5000000  -1.0000000   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     20                  932      932     203
+     Max          56      56     21                  935      935     206
+     Sum         661     661    241                11191    11191    2445
+
+     Using Slab Decomposition
+
+
+     Title: 
+     diamond                                                                    
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=   512
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       0.43 MB
+
+     Estimated total dynamical RAM >       5.19 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/charge-density
+
+     Starting wfcs are    8 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  1.25E-10,  avg # of iterations =  9.4
+
+     total cpu time spent up to now is       32.0 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):    14.0967
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/_ph0/diamond.save/
+
+     diamond                                                                    
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     kinetic-energy cut-off    =     110.0000  Ry
+     charge density cut-off    =     440.0000  Ry
+     convergence threshold     =      1.0E-14
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PZ
+                           (   1   1   0   0   0   0   0)
+
+
+     celldm(1)=    6.60000  celldm(2)=    0.00000  celldm(3)=    0.00000
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = ( -0.5000  0.0000  0.5000 )  
+               a(2) = (  0.0000  0.5000  0.5000 )  
+               a(3) = ( -0.5000  0.5000  0.0000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.0000 -1.0000  1.0000 )  
+               b(2) = (  1.0000  1.0000  1.0000 )  
+               b(3) = ( -1.0000  1.0000 -1.0000 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0110   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0110   tau(    2) = (    0.25000    0.25000    0.25000  )
+
+     Computing dynamical matrix for 
+                    q = (  -0.5000000  -1.0000000   0.0000000 )
+
+      8 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =  485.4906  (    933 G-vectors)     FFT grid: ( 32, 32, 32)
+     number of k points=   512
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+
+     Atomic displacements:
+     There are    3 irreducible representations
+
+     Representation     1      2 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   2.8000
+     PHONON       :   8m20.00s CPU   8m49.87s WALL
+
+
+
+     Representation #   1 modes #   1   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   531.8 secs   av.it.:   6.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.956E-06
+
+      iter #   2 total cpu time :   534.5 secs   av.it.:  10.1
+      thresh= 2.637E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.518E-06
+
+      iter #   3 total cpu time :   537.2 secs   av.it.:   9.7
+      thresh= 1.876E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.950E-09
+
+      iter #   4 total cpu time :   539.8 secs   av.it.:   9.5
+      thresh= 9.975E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.518E-11
+
+      iter #   5 total cpu time :   542.3 secs   av.it.:   9.4
+      thresh= 3.896E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.870E-14
+
+      iter #   6 total cpu time :   544.9 secs   av.it.:   9.6
+      thresh= 2.423E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.369E-16
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   546.9 secs   av.it.:   6.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.923E-06
+
+      iter #   2 total cpu time :   549.5 secs   av.it.:   9.9
+      thresh= 1.710E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.003E-07
+
+      iter #   3 total cpu time :   551.9 secs   av.it.:   9.6
+      thresh= 5.480E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.182E-10
+
+      iter #   4 total cpu time :   554.4 secs   av.it.:   9.9
+      thresh= 1.087E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.101E-12
+
+      iter #   5 total cpu time :   556.9 secs   av.it.:   9.2
+      thresh= 1.761E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.478E-14
+
+      iter #   6 total cpu time :   559.5 secs   av.it.:   9.8
+      thresh= 1.216E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.214E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   561.5 secs   av.it.:   6.7
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.461E-06
+
+      iter #   2 total cpu time :   564.1 secs   av.it.:  10.0
+      thresh= 1.860E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.662E-07
+
+      iter #   3 total cpu time :   566.6 secs   av.it.:   9.7
+      thresh= 6.052E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.515E-10
+
+      iter #   4 total cpu time :   569.4 secs   av.it.:   9.9
+      thresh= 1.231E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.401E-12
+
+      iter #   5 total cpu time :   571.8 secs   av.it.:   9.2
+      thresh= 2.098E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.519E-15
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1  -0.500000000  -1.000000000   0.000000000
+          2   0.000000000   1.000000000   0.500000000
+          3   0.000000000  -1.000000000  -0.500000000
+          4   0.500000000   1.000000000   0.000000000
+          5  -1.000000000  -0.500000000   0.000000000
+          6   0.000000000  -0.500000000  -1.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (   -0.500000000  -1.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =      28.390958 [THz] =     947.020414 [cm-1]
+     freq (    2) =      28.390958 [THz] =     947.020414 [cm-1]
+     freq (    3) =      31.504859 [THz] =    1050.888972 [cm-1]
+     freq (    4) =      31.504859 [THz] =    1050.888972 [cm-1]
+     freq (    5) =      37.142945 [THz] =    1238.955287 [cm-1]
+     freq (    6) =      37.142945 [THz] =    1238.955287 [cm-1]
+ **************************************************************************
+
+     init_run     :      0.08s CPU      0.09s WALL (       7 calls)
+     electrons    :     29.95s CPU     31.59s WALL (       7 calls)
+
+     Called by init_run:
+     wfcinit      :      0.00s CPU      0.00s WALL (       7 calls)
+     potinit      :      0.00s CPU      0.00s WALL (       7 calls)
+     hinit0       :      0.02s CPU      0.02s WALL (       7 calls)
+
+     Called by electrons:
+     c_bands      :     29.95s CPU     31.59s WALL (       7 calls)
+     v_of_rho     :      0.00s CPU      0.00s WALL (       8 calls)
+
+     Called by c_bands:
+     init_us_2    :      0.82s CPU      0.87s WALL (  137904 calls)
+     init_us_2:cp :      0.71s CPU      0.76s WALL (  137904 calls)
+     cegterg      :     25.16s CPU     26.52s WALL (    5864 calls)
+
+     Called by *egterg:
+     cdiaghg      :      2.22s CPU      2.34s WALL (   60866 calls)
+     h_psi        :    377.91s CPU    400.90s WALL ( 1172128 calls)
+     g_psi        :      0.15s CPU      0.15s WALL (   55002 calls)
+
+     Called by h_psi:
+     h_psi:calbec :     14.90s CPU     15.79s WALL ( 1172128 calls)
+     vloc_psi     :    357.03s CPU    378.77s WALL ( 1172128 calls)
+     add_vuspsi   :      2.44s CPU      2.60s WALL ( 1172128 calls)
+
+     General routines
+     calbec       :     24.59s CPU     26.16s WALL ( 2379434 calls)
+     fft          :      0.26s CPU      0.27s WALL (     899 calls)
+     ffts         :      1.20s CPU      1.28s WALL (   18504 calls)
+     fftw         :    400.25s CPU    424.22s WALL (10529456 calls)
+     davcio       :      5.52s CPU      5.97s WALL (  584616 calls)
+
+     Parallel routines
+
+     PHONON       :   8m59.33s CPU   9m31.82s WALL
+
+     INITIALIZATION: 
+     phq_setup    :      0.01s CPU      0.01s WALL (       8 calls)
+     phq_init     :      0.47s CPU      0.52s WALL (       8 calls)
+
+     phq_init     :      0.47s CPU      0.52s WALL (       8 calls)
+     init_vloc    :      0.00s CPU      0.00s WALL (       8 calls)
+     init_us_1    :      0.01s CPU      0.01s WALL (       8 calls)
+     init_us_2    :      0.82s CPU      0.87s WALL (  137904 calls)
+
+     DYNAMICAL MATRIX:
+     dynmat0      :      0.25s CPU      0.28s WALL (       8 calls)
+     phqscf       :    503.48s CPU    533.91s WALL (       8 calls)
+     dynmatrix    :      0.01s CPU      0.01s WALL (       8 calls)
+
+     phqscf       :    503.48s CPU    533.91s WALL (       8 calls)
+     solve_linter :    502.40s CPU    532.66s WALL (      32 calls)
+     drhodv       :      1.07s CPU      1.22s WALL (      32 calls)
+
+     dynmat0      :      0.25s CPU      0.28s WALL (       8 calls)
+     dynmat_us    :      0.25s CPU      0.27s WALL (       8 calls)
+     d2ionq       :      0.00s CPU      0.00s WALL (       8 calls)
+
+     dynmat_us    :      0.25s CPU      0.27s WALL (       8 calls)
+
+     phqscf       :    503.48s CPU    533.91s WALL (       8 calls)
+     solve_linter :    502.40s CPU    532.66s WALL (      32 calls)
+
+     solve_linter :    502.40s CPU    532.66s WALL (      32 calls)
+     dvqpsi_us    :      8.02s CPU      8.51s WALL (   18312 calls)
+     sth_kernel   :    494.72s CPU    524.62s WALL (     200 calls)
+     apply_dpot_b :     32.71s CPU     34.52s WALL (   95356 calls)
+     ortho        :      2.46s CPU      2.59s WALL (  113668 calls)
+     cgsolve      :    413.46s CPU    438.78s WALL (  113668 calls)
+     incdrhoscf   :     38.35s CPU     40.51s WALL (  113488 calls)
+     dv_of_drho   :      0.27s CPU      0.27s WALL (     289 calls)
+     mix_pot      :      0.10s CPU      0.11s WALL (     200 calls)
+     psymdvscf    :      2.23s CPU      2.26s WALL (     196 calls)
+
+     dvqpsi_us    :      8.02s CPU      8.51s WALL (   18312 calls)
+     dvqpsi_us_on :      0.16s CPU      0.17s WALL (   18312 calls)
+
+     cgsolve      :    413.46s CPU    438.78s WALL (  113668 calls)
+     ch_psi       :    387.99s CPU    411.69s WALL ( 1105398 calls)
+
+     ch_psi       :    387.99s CPU    411.69s WALL ( 1105398 calls)
+     h_psi        :    377.91s CPU    400.90s WALL ( 1172128 calls)
+     last         :     28.67s CPU     30.44s WALL ( 1105398 calls)
+
+     h_psi        :    377.91s CPU    400.90s WALL ( 1172128 calls)
+     add_vuspsi   :      2.44s CPU      2.60s WALL ( 1172128 calls)
+
+     incdrhoscf   :     38.35s CPU     40.51s WALL (  113488 calls)
+
+
+      General routines
+     calbec       :     24.59s CPU     26.16s WALL ( 2379434 calls)
+     fft          :      0.26s CPU      0.27s WALL (     899 calls)
+     ffts         :      1.20s CPU      1.28s WALL (   18504 calls)
+     fftw         :    400.25s CPU    424.22s WALL (10529456 calls)
+     davcio       :      5.52s CPU      5.97s WALL (  584616 calls)
+     write_rec    :      0.07s CPU      0.08s WALL (     232 calls)
+
+
+     PHONON       :   8m59.33s CPU   9m31.82s WALL
+
+
+   This run was terminated on:  17: 5:28   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/diamond/q2r.in b/user_static/data/diamond/q2r.in
new file mode 100644
index 0000000..cf0f142
--- /dev/null
+++ b/user_static/data/diamond/q2r.in
@@ -0,0 +1,6 @@
+diamond
+&INPUT
+  fildyn = 'diamond.dyn'
+  zasr = 'crystal'
+  flfrc = 'diamond.fc'
+/
diff --git a/user_static/data/diamond/q2r.out b/user_static/data/diamond/q2r.out
new file mode 100644
index 0000000..555aa6f
--- /dev/null
+++ b/user_static/data/diamond/q2r.out
@@ -0,0 +1,128 @@
+
+     Program Q2R v.7.1 starts on  2May2024 at 17: 5:29 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     222432 MiB available memory on the printing compute node when the environment starts
+
+
+     reading grid info from file diamond.dyn0    
+  reading force constants from file diamond.dyn1
+ macroscopic fields = T
+   5.68546  -0.00000  -0.00000
+  -0.00000   5.68546   0.00000
+  -0.00000   0.00000   5.68546
+  na=            1
+   0.00031  -0.00000  -0.00000
+  -0.00000   0.00031   0.00000
+  -0.00000   0.00000   0.00031
+  na=            2
+   0.00031  -0.00000  -0.00000
+  -0.00000   0.00031   0.00000
+  -0.00000   0.00000   0.00031
+Norm of the difference between old and new effective charges:    0.00076557666327243471
+  nqs=            1
+ q=   0.00000000  0.00000000  0.00000000
+  reading force constants from file diamond.dyn2
+  nqs=            8
+ q=  -0.25000000  0.25000000 -0.25000000
+ q=   0.25000000 -0.25000000 -0.25000000
+ q=   0.25000000 -0.25000000  0.25000000
+ q=   0.25000000  0.25000000  0.25000000
+ q=  -0.25000000 -0.25000000 -0.25000000
+ q=  -0.25000000 -0.25000000  0.25000000
+ q=  -0.25000000  0.25000000  0.25000000
+ q=   0.25000000  0.25000000 -0.25000000
+  reading force constants from file diamond.dyn3
+  nqs=            4
+ q=   0.50000000 -0.50000000  0.50000000
+ q=   0.50000000  0.50000000  0.50000000
+ q=  -0.50000000  0.50000000  0.50000000
+ q=   0.50000000  0.50000000 -0.50000000
+  reading force constants from file diamond.dyn4
+  nqs=            6
+ q=   0.00000000  0.50000000  0.00000000
+ q=   0.00000000 -0.50000000  0.00000000
+ q=   0.50000000  0.00000000  0.00000000
+ q=   0.00000000  0.00000000  0.50000000
+ q=   0.00000000  0.00000000 -0.50000000
+ q=  -0.50000000  0.00000000  0.00000000
+  reading force constants from file diamond.dyn5
+  nqs=           24
+ q=   0.75000000 -0.25000000  0.75000000
+ q=   0.75000000 -0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000 -0.75000000
+ q=  -0.75000000 -0.25000000  0.75000000
+ q=  -0.75000000  0.25000000 -0.75000000
+ q=  -0.25000000  0.75000000 -0.75000000
+ q=  -0.75000000  0.75000000 -0.25000000
+ q=   0.75000000  0.25000000  0.75000000
+ q=  -0.75000000  0.25000000  0.75000000
+ q=   0.75000000  0.25000000 -0.75000000
+ q=  -0.75000000  0.75000000  0.25000000
+ q=  -0.25000000  0.75000000  0.75000000
+ q=   0.25000000  0.75000000 -0.75000000
+ q=  -0.25000000 -0.75000000 -0.75000000
+ q=   0.75000000  0.75000000 -0.25000000
+ q=   0.75000000 -0.75000000  0.25000000
+ q=  -0.75000000 -0.75000000 -0.25000000
+ q=   0.25000000 -0.75000000  0.75000000
+ q=  -0.75000000 -0.75000000  0.25000000
+ q=   0.25000000  0.75000000  0.75000000
+ q=  -0.25000000 -0.75000000  0.75000000
+ q=   0.75000000  0.75000000  0.25000000
+ q=   0.25000000 -0.75000000 -0.75000000
+ q=   0.75000000 -0.75000000 -0.25000000
+  reading force constants from file diamond.dyn6
+  nqs=           12
+ q=   0.50000000  0.00000000  0.50000000
+ q=  -0.50000000  0.00000000  0.50000000
+ q=  -0.50000000  0.00000000 -0.50000000
+ q=   0.50000000  0.00000000 -0.50000000
+ q=   0.00000000  0.50000000 -0.50000000
+ q=  -0.50000000  0.50000000  0.00000000
+ q=   0.00000000  0.50000000  0.50000000
+ q=   0.00000000 -0.50000000 -0.50000000
+ q=   0.50000000  0.50000000  0.00000000
+ q=   0.50000000 -0.50000000  0.00000000
+ q=  -0.50000000 -0.50000000  0.00000000
+ q=   0.00000000 -0.50000000  0.50000000
+  reading force constants from file diamond.dyn7
+  nqs=            3
+ q=   0.00000000 -1.00000000  0.00000000
+ q=  -1.00000000  0.00000000  0.00000000
+ q=   0.00000000  0.00000000 -1.00000000
+  reading force constants from file diamond.dyn8
+  nqs=            6
+ q=  -0.50000000 -1.00000000  0.00000000
+ q=   0.00000000  1.00000000  0.50000000
+ q=   0.00000000 -1.00000000 -0.50000000
+ q=   0.50000000  1.00000000  0.00000000
+ q=  -1.00000000 -0.50000000  0.00000000
+ q=   0.00000000 -0.50000000 -1.00000000
+
+      q-space grid ok, #points =   64
+
+      fft-check success (sum of imaginary terms < 10^-12)
+
+     Q2R          :      0.03s CPU      0.03s WALL
+
+
+   This run was terminated on:  17: 5:29   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/diamond/scf.in b/user_static/data/diamond/scf.in
new file mode 100644
index 0000000..1ea2640
--- /dev/null
+++ b/user_static/data/diamond/scf.in
@@ -0,0 +1,25 @@
+ &control
+    calculation='scf',
+    restart_mode='from_scratch',
+    prefix='diamond',
+    pseudo_dir ='.'
+    outdir='/home/bonacc_m/Documents/phonons/diamond/TMP_diamond'
+ /
+ &system
+    ibrav = 2, 
+    celldm(1) = 6.6, 
+    nat=  2, 
+    ntyp= 1,
+    ecutwfc = 110.0
+ /
+ &electrons
+    mixing_beta = 0.7
+    conv_thr =  1.0d-9
+ /
+ATOMIC_SPECIES
+ C   12.011  C.pz-vbc.UPF
+ATOMIC_POSITIONS (alat)
+ C  0.00 0.00 0.00
+ C  0.25 0.25 0.25
+K_POINTS AUTOMATIC
+8 8 8 1 1 1 
diff --git a/user_static/data/diamond/scf.out b/user_static/data/diamond/scf.out
new file mode 100644
index 0000000..675b36f
--- /dev/null
+++ b/user_static/data/diamond/scf.out
@@ -0,0 +1,533 @@
+
+     Program PWSCF v.7.1 starts on  2May2024 at 16:55:55 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     222691 MiB available memory on the printing compute node when the environment starts
+
+     Waiting for input...
+     Reading input from standard input
+
+     Current dimensions of program PWSCF are:
+     Max number of different atomic species (ntypx) = 10
+     Max number of k-points (npk) =  40000
+     Max angular momentum in pseudopotentials (lmaxx) =  4
+
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          55      55     17                  932      932     173
+     Max          56      56     18                  935      935     175
+     Sum         661     661    211                11191    11191    2085
+
+     Using Slab Decomposition
+
+
+
+     bravais-lattice index     =            2
+     lattice parameter (alat)  =       6.6000  a.u.
+     unit-cell volume          =      71.8740 (a.u.)^3
+     number of atoms/cell      =            2
+     number of atomic types    =            1
+     number of electrons       =         8.00
+     number of Kohn-Sham states=            4
+     kinetic-energy cutoff     =     110.0000  Ry
+     charge density cutoff     =     440.0000  Ry
+     scf convergence threshold =      1.0E-09
+     mixing beta               =       0.7000
+     number of iterations used =            8  plain     mixing
+     Exchange-correlation= SLA  PZ   NOGX NOGC
+                           (   1   1   0   0   0   0   0)
+
+     celldm(1)=   6.600000  celldm(2)=   0.000000  celldm(3)=   0.000000
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  -0.500000   0.000000   0.500000 )  
+               a(2) = (   0.000000   0.500000   0.500000 )  
+               a(3) = (  -0.500000   0.500000   0.000000 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = ( -1.000000 -1.000000  1.000000 )  
+               b(2) = (  1.000000  1.000000  1.000000 )  
+               b(3) = ( -1.000000  1.000000 -1.000000 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     ./C.pz-vbc.UPF
+     MD5 check sum: f697e42eaa1e52b77fcf7925dd36a1dd
+     Pseudo is Norm-conserving, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  269 points,  1 beta functions with: 
+                l(1) =   0
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.01100     C ( 1.00)
+
+     48 Sym. Ops., with inversion, found (24 have fractional translation)
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )
+
+     number of k points=    60
+                       cart. coord. in units 2pi/alat
+        k(    1) = (  -0.0625000   0.0625000   0.0625000), wk =   0.0078125
+        k(    2) = (  -0.1875000   0.1875000  -0.0625000), wk =   0.0234375
+        k(    3) = (  -0.3125000   0.3125000  -0.1875000), wk =   0.0234375
+        k(    4) = (  -0.4375000   0.4375000  -0.3125000), wk =   0.0234375
+        k(    5) = (   0.4375000  -0.4375000   0.5625000), wk =   0.0234375
+        k(    6) = (   0.3125000  -0.3125000   0.4375000), wk =   0.0234375
+        k(    7) = (   0.1875000  -0.1875000   0.3125000), wk =   0.0234375
+        k(    8) = (   0.0625000  -0.0625000   0.1875000), wk =   0.0234375
+        k(    9) = (  -0.0625000   0.3125000   0.0625000), wk =   0.0234375
+        k(   10) = (  -0.1875000   0.4375000  -0.0625000), wk =   0.0468750
+        k(   11) = (  -0.3125000   0.5625000  -0.1875000), wk =   0.0468750
+        k(   12) = (   0.5625000  -0.3125000   0.6875000), wk =   0.0468750
+        k(   13) = (   0.4375000  -0.1875000   0.5625000), wk =   0.0468750
+        k(   14) = (   0.3125000  -0.0625000   0.4375000), wk =   0.0468750
+        k(   15) = (   0.1875000   0.0625000   0.3125000), wk =   0.0468750
+        k(   16) = (  -0.0625000   0.5625000   0.0625000), wk =   0.0234375
+        k(   17) = (  -0.1875000   0.6875000  -0.0625000), wk =   0.0468750
+        k(   18) = (   0.6875000  -0.1875000   0.8125000), wk =   0.0468750
+        k(   19) = (   0.5625000  -0.0625000   0.6875000), wk =   0.0468750
+        k(   20) = (   0.4375000   0.0625000   0.5625000), wk =   0.0468750
+        k(   21) = (   0.3125000   0.1875000   0.4375000), wk =   0.0468750
+        k(   22) = (  -0.0625000   0.8125000   0.0625000), wk =   0.0234375
+        k(   23) = (   0.8125000  -0.0625000   0.9375000), wk =   0.0468750
+        k(   24) = (   0.6875000   0.0625000   0.8125000), wk =   0.0468750
+        k(   25) = (   0.5625000   0.1875000   0.6875000), wk =   0.0468750
+        k(   26) = (   0.4375000   0.3125000   0.5625000), wk =   0.0468750
+        k(   27) = (  -0.0625000  -0.9375000   0.0625000), wk =   0.0234375
+        k(   28) = (  -0.1875000  -0.8125000  -0.0625000), wk =   0.0468750
+        k(   29) = (  -0.3125000  -0.6875000  -0.1875000), wk =   0.0468750
+        k(   30) = (  -0.0625000  -0.6875000   0.0625000), wk =   0.0234375
+        k(   31) = (  -0.1875000  -0.5625000  -0.0625000), wk =   0.0468750
+        k(   32) = (  -0.0625000  -0.4375000   0.0625000), wk =   0.0234375
+        k(   33) = (  -0.1875000   0.1875000   0.1875000), wk =   0.0078125
+        k(   34) = (  -0.3125000   0.3125000   0.0625000), wk =   0.0234375
+        k(   35) = (  -0.4375000   0.4375000  -0.0625000), wk =   0.0234375
+        k(   36) = (   0.4375000  -0.4375000   0.8125000), wk =   0.0234375
+        k(   37) = (   0.3125000  -0.3125000   0.6875000), wk =   0.0234375
+        k(   38) = (   0.1875000  -0.1875000   0.5625000), wk =   0.0234375
+        k(   39) = (  -0.1875000   0.4375000   0.1875000), wk =   0.0234375
+        k(   40) = (  -0.3125000   0.5625000   0.0625000), wk =   0.0468750
+        k(   41) = (   0.5625000  -0.3125000   0.9375000), wk =   0.0468750
+        k(   42) = (   0.4375000  -0.1875000   0.8125000), wk =   0.0468750
+        k(   43) = (   0.3125000  -0.0625000   0.6875000), wk =   0.0468750
+        k(   44) = (  -0.1875000   0.6875000   0.1875000), wk =   0.0234375
+        k(   45) = (   0.6875000  -0.1875000   1.0625000), wk =   0.0468750
+        k(   46) = (   0.5625000  -0.0625000   0.9375000), wk =   0.0468750
+        k(   47) = (   0.4375000   0.0625000   0.8125000), wk =   0.0468750
+        k(   48) = (  -0.1875000  -1.0625000   0.1875000), wk =   0.0234375
+        k(   49) = (  -0.3125000  -0.9375000   0.0625000), wk =   0.0468750
+        k(   50) = (  -0.1875000  -0.8125000   0.1875000), wk =   0.0234375
+        k(   51) = (  -0.3125000   0.3125000   0.3125000), wk =   0.0078125
+        k(   52) = (  -0.4375000   0.4375000   0.1875000), wk =   0.0234375
+        k(   53) = (   0.4375000  -0.4375000   1.0625000), wk =   0.0234375
+        k(   54) = (   0.3125000  -0.3125000   0.9375000), wk =   0.0234375
+        k(   55) = (  -0.3125000   0.5625000   0.3125000), wk =   0.0234375
+        k(   56) = (   0.5625000  -0.3125000   1.1875000), wk =   0.0468750
+        k(   57) = (   0.4375000  -0.1875000   1.0625000), wk =   0.0468750
+        k(   58) = (  -0.3125000  -1.1875000   0.3125000), wk =   0.0234375
+        k(   59) = (  -0.4375000   0.4375000   0.4375000), wk =   0.0078125
+        k(   60) = (   0.4375000  -0.4375000   1.3125000), wk =   0.0234375
+
+     Dense  grid:    11191 G-vectors     FFT dimensions: (  32,  32,  32)
+
+     Estimated max dynamical RAM per process >       1.08 MB
+
+     Estimated total dynamical RAM >      12.98 MB
+
+     Initial potential from superposition of free atoms
+
+     starting charge       7.9999, renormalised to       8.0000
+     Starting wfcs are    8 randomized atomic wfcs
+
+     total cpu time spent up to now is        0.1 secs
+
+     Self-consistent Calculation
+
+     iteration #  1     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.00E-02,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        0.2 secs
+
+     total energy              =     -22.78967971 Ry
+     estimated scf accuracy    <       0.14212673 Ry
+
+     iteration #  2     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.78E-03,  avg # of iterations =  1.5
+
+     total cpu time spent up to now is        0.3 secs
+
+     total energy              =     -22.80029696 Ry
+     estimated scf accuracy    <       0.00276068 Ry
+
+     iteration #  3     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  3.45E-05,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        0.4 secs
+
+     total energy              =     -22.80117733 Ry
+     estimated scf accuracy    <       0.00007739 Ry
+
+     iteration #  4     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  9.67E-07,  avg # of iterations =  2.9
+
+     total cpu time spent up to now is        0.4 secs
+
+     total energy              =     -22.80120936 Ry
+     estimated scf accuracy    <       0.00000486 Ry
+
+     iteration #  5     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  6.07E-08,  avg # of iterations =  3.0
+
+     total cpu time spent up to now is        0.5 secs
+
+     total energy              =     -22.80121142 Ry
+     estimated scf accuracy    <       0.00000003 Ry
+
+     iteration #  6     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  3.72E-10,  avg # of iterations =  5.3
+
+     total cpu time spent up to now is        0.7 secs
+
+     total energy              =     -22.80121151 Ry
+     estimated scf accuracy    <          6.1E-09 Ry
+
+     iteration #  7     ecut=   110.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  7.64E-11,  avg # of iterations =  1.9
+
+     total cpu time spent up to now is        0.7 secs
+
+     End of self-consistent calculation
+
+          k =-0.0625 0.0625 0.0625 (  1402 PWs)   bands (ev):
+
+    -7.6858  13.5277  14.0967  14.0967
+
+          k =-0.1875 0.1875-0.0625 (  1404 PWs)   bands (ev):
+
+    -7.0922  11.0624  12.3929  13.7524
+
+          k =-0.3125 0.3125-0.1875 (  1394 PWs)   bands (ev):
+
+    -5.6224   6.7425  11.3219  12.5960
+
+          k =-0.4375 0.4375-0.3125 (  1409 PWs)   bands (ev):
+
+    -3.3413   2.6001  10.8165  11.5992
+
+          k = 0.4375-0.4375 0.5625 (  1410 PWs)   bands (ev):
+
+    -1.6678   0.4413  10.9340  11.0907
+
+          k = 0.3125-0.3125 0.4375 (  1401 PWs)   bands (ev):
+
+    -4.1814   3.9156  11.1845  11.6198
+
+          k = 0.1875-0.1875 0.3125 (  1391 PWs)   bands (ev):
+
+    -6.2075   8.1989  11.9011  12.7178
+
+          k = 0.0625-0.0625 0.1875 (  1410 PWs)   bands (ev):
+
+    -7.3886  12.3486  13.0922  13.7498
+
+          k =-0.0625 0.3125 0.0625 (  1404 PWs)   bands (ev):
+
+    -6.7963  10.9720  11.7677  12.6836
+
+          k =-0.1875 0.4375-0.0625 (  1391 PWs)   bands (ev):
+
+    -5.6214   8.3631   9.9432  11.7690
+
+          k =-0.3125 0.5625-0.1875 (  1402 PWs)   bands (ev):
+
+    -3.6109   4.3472   9.3154  10.5495
+
+          k = 0.5625-0.3125 0.6875 (  1405 PWs)   bands (ev):
+
+    -1.1456   0.9941   8.9260  10.0856
+
+          k = 0.4375-0.1875 0.5625 (  1403 PWs)   bands (ev):
+
+    -2.7834   3.0954   8.6025  10.8188
+
+          k = 0.3125-0.0625 0.4375 (  1391 PWs)   bands (ev):
+
+    -5.0410   7.0536   8.9098  12.0786
+
+          k = 0.1875 0.0625 0.3125 (  1391 PWs)   bands (ev):
+
+    -6.5015   9.6772  11.1776  13.0830
+
+          k =-0.0625 0.5625 0.0625 (  1395 PWs)   bands (ev):
+
+    -4.7473   8.2675   9.3884   9.5205
+
+          k =-0.1875 0.6875-0.0625 (  1400 PWs)   bands (ev):
+
+    -3.0333   5.9714   7.7353   8.6267
+
+          k = 0.6875-0.1875 0.8125 (  1404 PWs)   bands (ev):
+
+    -0.6449   2.8969   6.2107   8.5149
+
+          k = 0.5625-0.0625 0.6875 (  1403 PWs)   bands (ev):
+
+    -0.6961   3.0555   5.2401   9.3597
+
+          k = 0.4375 0.0625 0.5625 (  1399 PWs)   bands (ev):
+
+    -3.0524   4.7921   6.8496  10.7420
+
+          k = 0.3125 0.1875 0.4375 (  1401 PWs)   bands (ev):
+
+    -4.7527   5.4385  10.3373  11.8859
+
+          k =-0.0625 0.8125 0.0625 (  1392 PWs)   bands (ev):
+
+    -1.6256   4.4933   7.5297   7.9464
+
+          k = 0.8125-0.0625 0.9375 (  1396 PWs)   bands (ev):
+
+     0.5037   2.4940   6.3033   7.4562
+
+          k = 0.6875 0.0625 0.8125 (  1397 PWs)   bands (ev):
+
+     0.8912   2.4606   4.6025   8.2062
+
+          k = 0.5625 0.1875 0.6875 (  1405 PWs)   bands (ev):
+
+    -0.6387   1.5408   7.1439   9.5922
+
+          k = 0.4375 0.3125 0.5625 (  1408 PWs)   bands (ev):
+
+    -2.2727   1.5672  10.1096  10.9354
+
+          k =-0.0625-0.9375 0.0625 (  1391 PWs)   bands (ev):
+
+     0.2769   2.3449   7.1957   7.6506
+
+          k =-0.1875-0.8125-0.0625 (  1401 PWs)   bands (ev):
+
+    -1.3643   4.4228   6.7664   7.8023
+
+          k =-0.3125-0.6875-0.1875 (  1404 PWs)   bands (ev):
+
+    -2.2219   3.4989   8.0199   9.2248
+
+          k =-0.0625-0.6875 0.0625 (  1397 PWs)   bands (ev):
+
+    -3.3112   6.5671   8.2480   8.5311
+
+          k =-0.1875-0.5625-0.0625 (  1399 PWs)   bands (ev):
+
+    -4.4605   7.1656   8.8171  10.1204
+
+          k =-0.0625-0.4375 0.0625 (  1391 PWs)   bands (ev):
+
+    -5.9132   9.6184  10.4874  11.1755
+
+          k =-0.1875 0.1875 0.1875 (  1399 PWs)   bands (ev):
+
+    -6.7965   9.6380  12.9976  12.9976
+
+          k =-0.3125 0.3125 0.0625 (  1385 PWs)   bands (ev):
+
+    -5.9145   8.3191  10.0661  12.9695
+
+          k =-0.4375 0.4375-0.0625 (  1401 PWs)   bands (ev):
+
+    -4.1797   5.8372   7.8244  11.7701
+
+          k = 0.4375-0.4375 0.8125 (  1399 PWs)   bands (ev):
+
+    -1.7363   2.1001   7.8472  10.5276
+
+          k = 0.3125-0.3125 0.6875 (  1406 PWs)   bands (ev):
+
+    -1.7246   2.0629   8.6203   9.7978
+
+          k = 0.1875-0.1875 0.5625 (  1404 PWs)   bands (ev):
+
+    -4.1753   5.7590   9.7758   9.9219
+
+          k =-0.1875 0.4375 0.1875 (  1394 PWs)   bands (ev):
+
+    -5.3306   6.8868  10.7752  11.5965
+
+          k =-0.3125 0.5625 0.0625 (  1397 PWs)   bands (ev):
+
+    -3.8917   5.9468   7.8627  10.5831
+
+          k = 0.5625-0.3125 0.9375 (  1398 PWs)   bands (ev):
+
+    -1.6887   3.9549   6.0551   9.1654
+
+          k = 0.4375-0.1875 0.8125 (  1403 PWs)   bands (ev):
+
+    -0.1182   2.0101   6.4426   8.3063
+
+          k = 0.3125-0.0625 0.6875 (  1399 PWs)   bands (ev):
+
+    -2.4854   4.9946   6.9518   8.8462
+
+          k =-0.1875 0.6875 0.1875 (  1400 PWs)   bands (ev):
+
+    -2.7589   4.8130   7.9899   8.9813
+
+          k = 0.6875-0.1875 1.0625 (  1404 PWs)   bands (ev):
+
+    -0.8577   4.0389   6.0753   7.4423
+
+          k = 0.5625-0.0625 0.9375 (  1406 PWs)   bands (ev):
+
+     1.3460   2.6971   4.9542   6.2755
+
+          k = 0.4375 0.0625 0.8125 (  1404 PWs)   bands (ev):
+
+    -0.1549   3.3102   5.4452   7.4501
+
+          k =-0.1875-1.0625 0.1875 (  1396 PWs)   bands (ev):
+
+     0.6883   2.5384   5.1627   8.1547
+
+          k =-0.3125-0.9375 0.0625 (  1400 PWs)   bands (ev):
+
+     0.9143   2.6840   5.4116   6.8427
+
+          k =-0.1875-0.8125 0.1875 (  1394 PWs)   bands (ev):
+
+    -1.1131   3.8957   6.1798   8.4336
+
+          k =-0.3125 0.3125 0.3125 (  1399 PWs)   bands (ev):
+
+    -5.0419   5.2361  11.9513  11.9513
+
+          k =-0.4375 0.4375 0.1875 (  1399 PWs)   bands (ev):
+
+    -3.8970   4.1522   9.4882  11.7214
+
+          k = 0.4375-0.4375 1.0625 (  1396 PWs)   bands (ev):
+
+    -1.9677   3.8047   5.9424  10.3858
+
+          k = 0.3125-0.3125 0.9375 (  1407 PWs)   bands (ev):
+
+     0.3272   2.4657   4.6690   9.1081
+
+          k =-0.3125 0.5625 0.3125 (  1406 PWs)   bands (ev):
+
+    -3.0596   2.8389  10.3999  10.4331
+
+          k = 0.5625-0.3125 1.1875 (  1407 PWs)   bands (ev):
+
+    -1.4617   2.3291   7.6936   9.4460
+
+          k = 0.4375-0.1875 1.0625 (  1404 PWs)   bands (ev):
+
+     0.5854   2.6349   4.8397   7.8353
+
+          k =-0.3125-1.1875 0.3125 (  1408 PWs)   bands (ev):
+
+    -0.3654   1.7529   6.6025   9.3437
+
+          k =-0.4375 0.4375 0.4375 (  1401 PWs)   bands (ev):
+
+    -2.5461   1.3020  11.3831  11.3831
+
+          k = 0.4375-0.4375 1.3125 (  1402 PWs)   bands (ev):
+
+    -1.4081   0.7241   9.6291  10.7815
+
+     highest occupied level (ev):    14.0967
+
+!    total energy              =     -22.80121151 Ry
+     estimated scf accuracy    <          1.0E-10 Ry
+
+     The total energy is the sum of the following terms:
+     one-electron contribution =       8.66178462 Ry
+     hartree contribution      =       1.81667280 Ry
+     xc contribution           =      -7.16186024 Ry
+     ewald contribution        =     -26.11780870 Ry
+
+     convergence has been achieved in   7 iterations
+
+     Writing all to output data dir /home/bonacc_m/Documents/phonons/diamond/TMP_diamond/diamond.save/
+
+     init_run     :      0.07s CPU      0.07s WALL (       1 calls)
+     electrons    :      0.61s CPU      0.65s WALL (       1 calls)
+
+     Called by init_run:
+     wfcinit      :      0.05s CPU      0.06s WALL (       1 calls)
+     potinit      :      0.00s CPU      0.00s WALL (       1 calls)
+     hinit0       :      0.00s CPU      0.00s WALL (       1 calls)
+
+     Called by electrons:
+     c_bands      :      0.54s CPU      0.57s WALL (       7 calls)
+     sum_band     :      0.07s CPU      0.07s WALL (       7 calls)
+     v_of_rho     :      0.00s CPU      0.00s WALL (       8 calls)
+     mix_rho      :      0.00s CPU      0.00s WALL (       7 calls)
+
+     Called by c_bands:
+     init_us_2    :      0.00s CPU      0.00s WALL (     900 calls)
+     init_us_2:cp :      0.00s CPU      0.00s WALL (     900 calls)
+     cegterg      :      0.53s CPU      0.56s WALL (     420 calls)
+
+     Called by *egterg:
+     cdiaghg      :      0.03s CPU      0.03s WALL (    1544 calls)
+     h_psi        :      0.46s CPU      0.49s WALL (    1604 calls)
+     g_psi        :      0.00s CPU      0.00s WALL (    1124 calls)
+
+     Called by h_psi:
+     h_psi:calbec :      0.02s CPU      0.02s WALL (    1604 calls)
+     vloc_psi     :      0.44s CPU      0.46s WALL (    1604 calls)
+     add_vuspsi   :      0.00s CPU      0.00s WALL (    1604 calls)
+
+     General routines
+     calbec       :      0.02s CPU      0.02s WALL (    1604 calls)
+     fft          :      0.00s CPU      0.00s WALL (      23 calls)
+     ffts         :      0.00s CPU      0.00s WALL (       7 calls)
+     fftw         :      0.46s CPU      0.49s WALL (   13326 calls)
+
+     Parallel routines
+
+     PWSCF        :      0.73s CPU      0.79s WALL
+
+
+   This run was terminated on:  16:55:56   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/graphite.json b/user_static/data/graphite.json
new file mode 100644
index 0000000..1984eab
--- /dev/null
+++ b/user_static/data/graphite.json
@@ -0,0 +1 @@
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[[0.000473, 0.0], [-0.119317, 0.0], [0.485554, 0.0]], [[0.000473, 0.0], [-0.119317, 0.0], [0.485554, -0.0]]], [[[0.0, -0.0], [0.0, -0.0], [-0.499136, 0.0]], [[0.0, -0.0], [0.0, -0.0], [0.500862, -0.0]], [[-0.0, 0.0], [-0.0, 0.0], [0.499136, 0.0]], [[-0.0, 0.0], [-0.0, -0.0], [-0.500862, 0.0]]], [[[-0.0, -0.0], [0.0, 0.0], [-0.500862, -0.0]], [[-0.0, -0.0], [0.0, 0.0], [-0.499136, -0.0]], [[0.0, 0.0], [-0.0, -0.0], [0.500862, 0.0]], [[0.0, 0.0], [-0.0, -0.0], [0.499136, 0.0]]], [[[0.109158, 0.0], [0.492849, 0.0], [0.0, -0.0]], [[-0.107075, -0.0], [-0.483446, -0.0], [-0.0, 0.0]], [[-0.109158, -0.0], [-0.492849, -0.0], [-0.0, -0.0]], [[0.107075, 0.0], [0.483446, 0.0], [0.0, 0.0]]], [[[0.433013, -0.0], [-0.25, 0.0], [0.0, -0.0]], [[-0.433013, 0.0], [0.25, -0.0], [-0.0, 0.0]], [[0.433013, -0.0], [-0.25, 0.0], [0.0, 0.0]], [[-0.433013, 0.0], [0.25, -0.0], [-0.0, 0.0]]], [[[-0.492849, -0.0], [0.109158, 0.0], [0.0, -0.0]], [[0.483446, 0.0], [-0.107075, -0.0], [-0.0, 0.0]], [[0.492849, 0.0], [-0.109158, -0.0], [-0.0, 0.0]], [[-0.483446, -0.0], [0.107075, 0.0], [0.0, 0.0]]], [[[0.25, -0.0], [0.433013, -0.0], [-0.0, 0.0]], [[-0.25, 0.0], [-0.433013, 0.0], [0.0, -0.0]], [[0.25, -0.0], [0.433013, -0.0], [-0.0, 0.0]], [[-0.25, 0.0], [-0.433013, 0.0], [0.0, 0.0]]]]]}
\ No newline at end of file
diff --git a/user_static/data/graphite/matdyn.in b/user_static/data/graphite/matdyn.in
new file mode 100644
index 0000000..0e61ba3
--- /dev/null
+++ b/user_static/data/graphite/matdyn.in
@@ -0,0 +1,14 @@
+&INPUT
+  asr = 'crystal'
+  flfrc = 'graphite.fc'
+  flfrq = 'graphite.freq'
+  flvec = 'graphite.modes'
+!  loto_2d = .true.
+  q_in_cryst_coord = .true.
+  q_in_band_form = .true.
+/
+4
+0.000 0.000 0.000  20 ! G
+0.5000000000	0.0000000000	0.0000000000  20 ! M
+0.3333333333	0.3333333333	0.0000000000 20 ! K
+0 0 0 20 ! G
diff --git a/user_static/data/graphite/matdyn.modes b/user_static/data/graphite/matdyn.modes
new file mode 100644
index 0000000..757a895
--- /dev/null
+++ b/user_static/data/graphite/matdyn.modes
@@ -0,0 +1,3965 @@
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      -0.000001 [THz] =      -0.000024 [cm-1]
+ (  0.482056   0.000000     0.122625   0.000000    -0.050842  -0.000000   )
+ (  0.482056   0.000000     0.122625   0.000000    -0.050842  -0.000000   )
+ (  0.482056   0.000000     0.122625   0.000000    -0.050842   0.000000   )
+ (  0.482056   0.000000     0.122625   0.000000    -0.050842   0.000000   )
+     freq (    2) =      -0.000001 [THz] =      -0.000023 [cm-1]
+ (  0.116307  -0.000000    -0.482458  -0.000000    -0.060882   0.000000   )
+ (  0.116307  -0.000000    -0.482458  -0.000000    -0.060882   0.000000   )
+ (  0.116307  -0.000000    -0.482458  -0.000000    -0.060882  -0.000000   )
+ (  0.116307  -0.000000    -0.482458  -0.000000    -0.060882   0.000000   )
+     freq (    3) =       0.000000 [THz] =       0.000002 [cm-1]
+ (  0.063990   0.000000    -0.046871  -0.000000     0.493668   0.000000   )
+ (  0.063990   0.000000    -0.046871  -0.000000     0.493668  -0.000000   )
+ (  0.063990   0.000000    -0.046871  -0.000000     0.493668  -0.000000   )
+ (  0.063990   0.000000    -0.046871  -0.000000     0.493668  -0.000000   )
+     freq (    4) =       4.072307 [THz] =     135.837528 [cm-1]
+ (  0.457123  -0.000000     0.190324  -0.000000    -0.000000   0.000000   )
+ (  0.466014  -0.000000     0.194026  -0.000000    -0.000000   0.000000   )
+ ( -0.457123   0.000000    -0.190324   0.000000    -0.000000   0.000000   )
+ ( -0.466014   0.000000    -0.194026   0.000000     0.000000  -0.000000   )
+     freq (    5) =       4.072307 [THz] =     135.837528 [cm-1]
+ (  0.190324  -0.000000    -0.457123   0.000000    -0.000000   0.000000   )
+ (  0.194026  -0.000000    -0.466014   0.000000    -0.000000   0.000000   )
+ ( -0.190324   0.000000     0.457123  -0.000000     0.000000  -0.000000   )
+ ( -0.194026   0.000000     0.466014  -0.000000     0.000000   0.000000   )
+     freq (    6) =       7.283861 [THz] =     242.963458 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500862  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.499136  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.500862   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499136   0.000000   )
+     freq (    7) =      26.564965 [THz] =     886.111866 [cm-1]
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.499136   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500862  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499136   0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.500862   0.000000   )
+     freq (    8) =      26.795201 [THz] =     893.791689 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.500000   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.500000  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.500000   0.000000   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.500000   0.000000   )
+     freq (    9) =      46.832433 [THz] =    1562.161811 [cm-1]
+ (  0.492901   0.000000    -0.108923  -0.000000    -0.000000   0.000000   )
+ ( -0.483496  -0.000000     0.106845   0.000000     0.000000  -0.000000   )
+ ( -0.492901  -0.000000     0.108923   0.000000     0.000000  -0.000000   )
+ (  0.483496   0.000000    -0.106845  -0.000000    -0.000000   0.000000   )
+     freq (   10) =      46.832433 [THz] =    1562.161811 [cm-1]
+ (  0.108923   0.000000     0.492901   0.000000     0.000000  -0.000000   )
+ ( -0.106845  -0.000000    -0.483496  -0.000000    -0.000000   0.000000   )
+ ( -0.108923  -0.000000    -0.492901  -0.000000    -0.000000   0.000000   )
+ (  0.106845   0.000000     0.483496   0.000000     0.000000   0.000000   )
+     freq (   11) =      47.156472 [THz] =    1572.970606 [cm-1]
+ ( -0.250000   0.000000     0.433013  -0.000000    -0.000000   0.000000   )
+ (  0.250000  -0.000000    -0.433013   0.000000     0.000000  -0.000000   )
+ ( -0.250000   0.000000     0.433013  -0.000000    -0.000000  -0.000000   )
+ (  0.250000  -0.000000    -0.433013   0.000000     0.000000   0.000000   )
+     freq (   12) =      47.196896 [THz] =    1574.318990 [cm-1]
+ (  0.433013  -0.000000     0.250000  -0.000000    -0.000000  -0.000000   )
+ ( -0.433013   0.000000    -0.250000   0.000000     0.000000  -0.000000   )
+ (  0.433013  -0.000000     0.250000  -0.000000    -0.000000   0.000000   )
+ ( -0.433013   0.000000    -0.250000   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0250      0.0144      0.0000
+ **************************************************************************
+     freq (    1) =       0.674973 [THz] =      22.514668 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497239   0.052282   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.499334   0.026177   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497243   0.052249   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.500020   0.000000   )
+     freq (    2) =       1.566360 [THz] =      52.248148 [cm-1]
+ (  0.248126   0.030079    -0.429767  -0.052098     0.000000  -0.000000   )
+ (  0.247156   0.037985    -0.428086  -0.065792     0.000000  -0.000000   )
+ (  0.247778   0.032826    -0.429163  -0.056856     0.000000  -0.000000   )
+ (  0.241849   0.063544    -0.418895  -0.110061     0.000000   0.000000   )
+     freq (    3) =       2.552527 [THz] =      85.143121 [cm-1]
+ (  0.431489  -0.034897     0.249120  -0.020148     0.000000  -0.000000   )
+ (  0.433114  -0.003408     0.250058  -0.001968    -0.000000   0.000000   )
+ (  0.431068  -0.039760     0.248877  -0.022956     0.000000  -0.000000   )
+ (  0.433114  -0.003347     0.250059  -0.001932    -0.000000   0.000000   )
+     freq (    4) =       4.325418 [THz] =     144.280412 [cm-1]
+ (  0.193130  -0.154896    -0.334511   0.268287    -0.000000   0.000000   )
+ (  0.202028  -0.151304    -0.349922   0.262066    -0.000000   0.000000   )
+ ( -0.195035   0.152490     0.337810  -0.264121     0.000000  -0.000000   )
+ ( -0.216533   0.129698     0.375046  -0.224643     0.000000   0.000000   )
+     freq (    5) =       4.763221 [THz] =     158.883966 [cm-1]
+ (  0.330486   0.273209     0.190806   0.157737    -0.000000  -0.000000   )
+ (  0.316199   0.301917     0.182558   0.174312     0.000000   0.000000   )
+ ( -0.333910  -0.269014    -0.192783  -0.155315     0.000000  -0.000000   )
+ ( -0.315756  -0.302380    -0.182302  -0.174579    -0.000000   0.000000   )
+     freq (    6) =       7.279899 [THz] =     242.831308 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.498075  -0.052370   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.498494  -0.026135   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.498078   0.052340   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.499178   0.000000   )
+     freq (    7) =      26.549823 [THz] =     885.606763 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.496418   0.052420   )
+ (  0.000000   0.000000     0.000000   0.000000     0.500122  -0.026442   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.496445  -0.052165   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.500820   0.000000   )
+     freq (    8) =      26.782154 [THz] =     893.356511 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.497255   0.052509   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.499283  -0.026400   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.497282   0.052256   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499980   0.000000   )
+     freq (    9) =      46.804163 [THz] =    1561.218819 [cm-1]
+ ( -0.250146   0.033701     0.433265  -0.058371     0.000000  -0.000000   )
+ (  0.246286  -0.025187    -0.426580   0.043625    -0.000000   0.000000   )
+ (  0.250004  -0.034735    -0.433020   0.060162    -0.000000   0.000000   )
+ ( -0.247550   0.003213     0.428769  -0.005565     0.000000   0.000000   )
+     freq (   10) =      46.875430 [THz] =    1563.596048 [cm-1]
+ (  0.050013   0.434323     0.028875   0.250756     0.000000  -0.000000   )
+ ( -0.017995  -0.428414    -0.010390  -0.247345    -0.000000   0.000000   )
+ ( -0.047502  -0.434605    -0.027426  -0.250919     0.000000  -0.000000   )
+ (  0.010486   0.428663     0.006054   0.247489    -0.000000   0.000000   )
+     freq (   11) =      47.121972 [THz] =    1571.819812 [cm-1]
+ (  0.247937  -0.032487    -0.429440   0.056270     0.000000  -0.000000   )
+ ( -0.248762   0.024274     0.430869  -0.042044    -0.000000   0.000000   )
+ (  0.247834  -0.033264    -0.429261   0.057615     0.000000  -0.000000   )
+ ( -0.249933   0.002339     0.432896  -0.004052    -0.000000   0.000000   )
+     freq (   12) =      47.224206 [THz] =    1575.229963 [cm-1]
+ (  0.049422   0.430296     0.028534   0.248432    -0.000000   0.000000   )
+ ( -0.018478  -0.432506    -0.010668  -0.249707     0.000000  -0.000000   )
+ (  0.047365   0.430528     0.027346   0.248565     0.000000  -0.000000   )
+ ( -0.010455  -0.432774    -0.006036  -0.249862    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0500      0.0289      0.0000
+ **************************************************************************
+     freq (    1) =       1.348690 [THz] =      44.987467 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.488963   0.104102   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.497332   0.052336   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.489018   0.103840   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.500078   0.000000   )
+     freq (    2) =       3.128163 [THz] =     104.344272 [cm-1]
+ ( -0.244884  -0.049177     0.424151   0.085178    -0.000000  -0.000000   )
+ ( -0.241718  -0.064701     0.418667   0.112065    -0.000000  -0.000000   )
+ ( -0.243658  -0.054927     0.422029   0.095137    -0.000000   0.000000   )
+ ( -0.222808  -0.113887     0.385914   0.197259    -0.000000   0.000000   )
+     freq (    3) =       5.008674 [THz] =     167.071390 [cm-1]
+ (  0.215471  -0.121866    -0.373206   0.211079    -0.000000   0.000000   )
+ (  0.227423  -0.109543    -0.393909   0.189734    -0.000000   0.000000   )
+ ( -0.218573   0.116210     0.378580  -0.201282     0.000000  -0.000000   )
+ ( -0.245173   0.060092     0.424653  -0.104081     0.000000   0.000000   )
+     freq (    4) =       5.096462 [THz] =     169.999678 [cm-1]
+ (  0.425636  -0.077079     0.245741  -0.044502     0.000000  -0.000000   )
+ (  0.433225  -0.014433     0.250123  -0.008333    -0.000000   0.000000   )
+ (  0.423549  -0.087828     0.244536  -0.050707     0.000000  -0.000000   )
+ (  0.433182  -0.015668     0.250098  -0.009046    -0.000000   0.000000   )
+     freq (    5) =       6.399007 [THz] =     213.447894 [cm-1]
+ (  0.412806   0.115679     0.238334   0.066787    -0.000000  -0.000000   )
+ (  0.399895   0.176898     0.230880   0.102132     0.000000   0.000000   )
+ ( -0.415875  -0.104108    -0.240106  -0.060107     0.000000  -0.000000   )
+ ( -0.399948  -0.176780    -0.230910  -0.102064    -0.000000   0.000000   )
+     freq (    6) =       7.270431 [THz] =     242.515463 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.489720   0.104263   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.496559   0.052273   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.489772  -0.104019   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499303   0.000000   )
+     freq (    7) =      26.508586 [THz] =     884.231266 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.487993   0.105668   )
+ (  0.000000   0.000000     0.000000   0.000000     0.497762  -0.054127   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.488414  -0.103709   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.500696   0.000000   )
+     freq (    8) =      26.742932 [THz] =     892.048200 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.488751   0.105832   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.496989  -0.054067   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.489167   0.103893   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499922   0.000000   )
+     freq (    9) =      46.719358 [THz] =    1558.390027 [cm-1]
+ ( -0.243437   0.066793     0.421646  -0.115690     0.000000  -0.000000   )
+ (  0.242400  -0.050189    -0.419850   0.086930    -0.000000   0.000000   )
+ (  0.243020  -0.068295    -0.420924   0.118291    -0.000000   0.000000   )
+ ( -0.247474   0.005798     0.428637  -0.010042     0.000000   0.000000   )
+     freq (   10) =      46.991989 [THz] =    1567.484018 [cm-1]
+ (  0.099460   0.425822     0.057423   0.245849     0.000000  -0.000000   )
+ ( -0.035934  -0.427191    -0.020747  -0.246639    -0.000000   0.000000   )
+ ( -0.095480  -0.426732    -0.055125  -0.246374     0.000000  -0.000000   )
+ (  0.022069   0.428131     0.012741   0.247182    -0.000000   0.000000   )
+     freq (   11) =      47.019089 [THz] =    1568.387974 [cm-1]
+ (  0.241769  -0.064492    -0.418756   0.111704     0.000000  -0.000000   )
+ ( -0.245038   0.048422     0.424419  -0.083869    -0.000000   0.000000   )
+ (  0.241494  -0.065515    -0.418280   0.113475     0.000000  -0.000000   )
+ ( -0.249744   0.004081     0.432569  -0.007068    -0.000000   0.000000   )
+     freq (   12) =      47.301998 [THz] =    1577.824822 [cm-1]
+ ( -0.098342  -0.422154    -0.056778  -0.243731     0.000000  -0.000000   )
+ (  0.036851   0.430995     0.021276   0.248835    -0.000000   0.000000   )
+ ( -0.095218  -0.422870    -0.054974  -0.244144    -0.000000   0.000000   )
+ (  0.022005   0.432008     0.012705   0.249420     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0750      0.0433      0.0000
+ **************************************************************************
+     freq (    1) =       2.020728 [THz] =      67.404235 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.475184   0.154999   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.493981   0.078474   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.475467   0.154131   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.500175   0.000000   )
+     freq (    2) =       4.680017 [THz] =     156.108565 [cm-1]
+ (  0.061061   0.241912    -0.105761  -0.419004    -0.000000  -0.000000   )
+ (  0.038219   0.247567    -0.066197  -0.428799    -0.000000  -0.000000   )
+ (  0.051596   0.244106    -0.089367  -0.422804     0.000000   0.000000   )
+ ( -0.042099   0.246937     0.072917  -0.427707     0.000000   0.000000   )
+     freq (    3) =       5.975597 [THz] =     199.324464 [cm-1]
+ (  0.222928  -0.107518    -0.386123   0.186227    -0.000000   0.000000   )
+ (  0.237008  -0.087006    -0.410510   0.150699    -0.000000   0.000000   )
+ ( -0.227292   0.097957     0.393681  -0.169666     0.000000  -0.000000   )
+ ( -0.252334   0.008390     0.437055  -0.014533     0.000000   0.000000   )
+     freq (    4) =       7.262672 [THz] =     242.256676 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.475820  -0.155206   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.493310  -0.078431   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.476084   0.154396   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.499506   0.000000   )
+     freq (    5) =       7.622957 [THz] =     254.274483 [cm-1]
+ (  0.420011  -0.101115     0.242494  -0.058379     0.000000  -0.000000   )
+ (  0.433949  -0.007371     0.250541  -0.004256    -0.000000   0.000000   )
+ (  0.414897  -0.120393     0.239541  -0.069509     0.000000  -0.000000   )
+ (  0.433811  -0.013211     0.250461  -0.007627    -0.000000   0.000000   )
+     freq (    6) =       8.437482 [THz] =     281.444092 [cm-1]
+ ( -0.428515   0.006598    -0.247403   0.003809     0.000000   0.000000   )
+ ( -0.428680  -0.086976    -0.247499  -0.050216    -0.000000  -0.000000   )
+ (  0.427652  -0.027968     0.246905  -0.016147    -0.000000   0.000000   )
+ (  0.429513   0.082765     0.247979   0.047784     0.000000   0.000000   )
+     freq (    7) =      26.445751 [THz] =     882.135289 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.473066   0.160358   )
+ (  0.000000   0.000000     0.000000   0.000000     0.493359  -0.084204   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.475166  -0.154025   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.500493   0.000000   )
+     freq (    8) =      26.677008 [THz] =     889.849211 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.473699   0.160573   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.492688  -0.084167   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.475778   0.154305   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499825   0.000000   )
+     freq (    9) =      46.578158 [THz] =    1553.680100 [cm-1]
+ (  0.232715  -0.097933    -0.403074   0.169624    -0.000000   0.000000   )
+ ( -0.236152   0.074063     0.409026  -0.128281     0.000000  -0.000000   )
+ ( -0.232364   0.098762     0.402467  -0.171061     0.000000  -0.000000   )
+ (  0.247415  -0.006206    -0.428536   0.010749    -0.000000   0.000000   )
+     freq (   10) =      46.849724 [THz] =    1562.738585 [cm-1]
+ ( -0.231139   0.096543     0.400345  -0.167217    -0.000000   0.000000   )
+ (  0.238478  -0.073363    -0.413057   0.127068     0.000000  -0.000000   )
+ ( -0.231062   0.096729     0.400211  -0.167539    -0.000000   0.000000   )
+ (  0.249445  -0.005598    -0.432051   0.009696     0.000000   0.000000   )
+     freq (   11) =      47.158967 [THz] =    1573.053831 [cm-1]
+ (  0.147694   0.411746     0.085271   0.237722     0.000000  -0.000000   )
+ ( -0.053677  -0.425171    -0.030990  -0.245473    -0.000000   0.000000   )
+ ( -0.144102  -0.413017    -0.083197  -0.238455     0.000000  -0.000000   )
+ (  0.035648   0.427061     0.020581   0.246564    -0.000000   0.000000   )
+     freq (   12) =      47.418707 [THz] =    1581.717815 [cm-1]
+ (  0.146178   0.408633     0.084396   0.235925    -0.000000   0.000000   )
+ ( -0.054946  -0.428523    -0.031723  -0.247408     0.000000  -0.000000   )
+ (  0.143749   0.409494     0.082994   0.236422     0.000000  -0.000000   )
+ ( -0.035549  -0.430566    -0.020524  -0.248587    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1000      0.0577      0.0000
+ **************************************************************************
+     freq (    1) =       2.692193 [THz] =      89.801892 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.455919  -0.204525   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.489247  -0.104619   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.456813  -0.202519   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.500308   0.000000   )
+     freq (    2) =       6.214975 [THz] =     207.309253 [cm-1]
+ ( -0.237193  -0.076212     0.410830   0.132003     0.000000  -0.000000   )
+ ( -0.227560  -0.105584     0.394145   0.182878     0.000000  -0.000000   )
+ ( -0.232257  -0.090140     0.402281   0.156127    -0.000000   0.000000   )
+ ( -0.160803  -0.192546     0.278518   0.333499    -0.000000   0.000000   )
+     freq (    3) =       7.107876 [THz] =     237.093210 [cm-1]
+ (  0.196548  -0.150315    -0.340431   0.260354    -0.000000   0.000000   )
+ (  0.218500  -0.126617    -0.378453   0.219308    -0.000000   0.000000   )
+ ( -0.205695   0.137533     0.356275  -0.238214     0.000000  -0.000000   )
+ ( -0.251542   0.022378     0.435683  -0.038760     0.000000   0.000000   )
+     freq (    4) =       7.268478 [THz] =     242.450341 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.456399   0.204740   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.488702   0.104648   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.457237  -0.202863   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499781   0.000000   )
+     freq (    5) =      10.122790 [THz] =     337.659927 [cm-1]
+ (  0.403932  -0.151121     0.233210  -0.087250     0.000000  -0.000000   )
+ (  0.433833  -0.028118     0.250474  -0.016234    -0.000000   0.000000   )
+ (  0.390242  -0.183601     0.225306  -0.106002     0.000000  -0.000000   )
+ (  0.432362  -0.045442     0.249624  -0.026236    -0.000000   0.000000   )
+     freq (    6) =      10.635846 [THz] =     354.773648 [cm-1]
+ ( -0.420362   0.082450    -0.242696   0.047603     0.000000  -0.000000   )
+ ( -0.435633  -0.041491    -0.251513  -0.023955    -0.000000  -0.000000   )
+ (  0.411672  -0.118442     0.237679  -0.068383    -0.000000   0.000000   )
+ (  0.436829   0.026038     0.252203   0.015033     0.000000   0.000000   )
+     freq (    7) =      26.360202 [THz] =     879.281692 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.450267  -0.216890   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.486136   0.117854   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.456901   0.202543   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.500218   0.000000   )
+     freq (    8) =      26.582903 [THz] =     886.710211 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.450740   0.217118   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.485586  -0.117896   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.457311   0.202912   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499693   0.000000   )
+     freq (    9) =      46.381185 [THz] =    1547.109810 [cm-1]
+ (  0.217524  -0.128312    -0.376762   0.222242    -0.000000   0.000000   )
+ ( -0.227013   0.098411     0.393198  -0.170453     0.000000  -0.000000   )
+ ( -0.218457   0.126715     0.378379  -0.219478     0.000000  -0.000000   )
+ (  0.247371  -0.005243    -0.428458   0.009081    -0.000000   0.000000   )
+     freq (   10) =      46.617228 [THz] =    1554.983354 [cm-1]
+ ( -0.216895   0.126023     0.375673  -0.218277    -0.000000   0.000000   )
+ (  0.229576  -0.096797    -0.397637   0.167658     0.000000  -0.000000   )
+ ( -0.218234   0.123690     0.377992  -0.214237    -0.000000   0.000000   )
+ (  0.249121  -0.003650    -0.431491   0.006322     0.000000   0.000000   )
+     freq (   11) =      47.353948 [THz] =    1579.557681 [cm-1]
+ (  0.194124   0.392231     0.112077   0.226455     0.000000  -0.000000   )
+ ( -0.071137  -0.422387    -0.041071  -0.243865    -0.000000   0.000000   )
+ ( -0.194118  -0.392234    -0.112074  -0.226456     0.000000  -0.000000   )
+ (  0.052965   0.425048     0.030579   0.245401    -0.000000   0.000000   )
+     freq (   12) =      47.557304 [THz] =    1586.340912 [cm-1]
+ ( -0.192379  -0.389821    -0.111070  -0.225063     0.000000  -0.000000   )
+ (  0.072649   0.425149     0.041944   0.245460    -0.000000   0.000000   )
+ ( -0.193729  -0.389152    -0.111849  -0.224677    -0.000000   0.000000   )
+ (  0.052824   0.428065     0.030498   0.247143     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1250      0.0722      0.0000
+ **************************************************************************
+     freq (    1) =       3.366173 [THz] =     112.283458 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.431165  -0.252234   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.483068  -0.130841   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.433352  -0.248458   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500474   0.000000   )
+     freq (    2) =       7.303845 [THz] =     243.630050 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.431472  -0.252414   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.482656  -0.131007   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.433527   0.248867   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.500119   0.000000   )
+     freq (    3) =       7.724000 [THz] =     257.644918 [cm-1]
+ ( -0.215360  -0.124386     0.373015   0.215443    -0.000000  -0.000000   )
+ ( -0.196205  -0.157009     0.339836   0.271947     0.000000  -0.000000   )
+ ( -0.203642  -0.142765     0.352719   0.247276    -0.000000   0.000000   )
+ ( -0.080259  -0.238131     0.139013   0.412455    -0.000000   0.000000   )
+     freq (    4) =       8.330123 [THz] =     277.862986 [cm-1]
+ (  0.209421  -0.131635    -0.362727   0.227998     0.000000  -0.000000   )
+ (  0.232122  -0.099673    -0.402047   0.172639     0.000000  -0.000000   )
+ ( -0.220650   0.111796     0.382176  -0.193637    -0.000000   0.000000   )
+ ( -0.249356  -0.040461     0.431896   0.070081    -0.000000   0.000000   )
+     freq (    5) =      12.586234 [THz] =     419.831560 [cm-1]
+ (  0.386433  -0.189439     0.223107  -0.109373     0.000000  -0.000000   )
+ (  0.433965  -0.038164     0.250550  -0.022034    -0.000000   0.000000   )
+ (  0.353454  -0.245537     0.204067  -0.141761     0.000000  -0.000000   )
+ (  0.427814  -0.082200     0.246999  -0.047458    -0.000000   0.000000   )
+     freq (    6) =      12.895512 [THz] =     430.147989 [cm-1]
+ ( -0.401887   0.147613    -0.232030   0.085224     0.000000  -0.000000   )
+ ( -0.437808  -0.004655    -0.252768  -0.002688    -0.000000   0.000000   )
+ (  0.373887  -0.208593     0.215864  -0.120431    -0.000000   0.000000   )
+ (  0.436210  -0.037662     0.251846  -0.021744     0.000000   0.000000   )
+     freq (    7) =      26.247539 [THz] =     875.523664 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.417564   0.275252   )
+ (  0.000000   0.000000     0.000000   0.000000     0.474821  -0.156274   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.433880  -0.248739   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.499877   0.000000   )
+     freq (    8) =      26.457925 [THz] =     882.541378 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.417854   0.275443   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.474396  -0.156455   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.434030   0.249177   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499529   0.000000   )
+     freq (    9) =      46.130059 [THz] =    1538.733136 [cm-1]
+ (  0.197458  -0.157585    -0.342007   0.272945    -0.000000   0.000000   )
+ ( -0.214383   0.123359     0.371323  -0.213663     0.000000  -0.000000   )
+ ( -0.202431   0.151143     0.350620  -0.261788     0.000000  -0.000000   )
+ (  0.247334  -0.001822    -0.428395   0.003157    -0.000000   0.000000   )
+     freq (   10) =      46.326629 [THz] =    1545.290010 [cm-1]
+ ( -0.199871   0.152290     0.346188  -0.263774    -0.000000   0.000000   )
+ (  0.218763  -0.118330    -0.378909   0.204953     0.000000  -0.000000   )
+ ( -0.205223   0.144997     0.355457  -0.251142    -0.000000   0.000000   )
+ (  0.248687   0.003739    -0.430739  -0.006477     0.000000   0.000000   )
+     freq (   11) =      47.553490 [THz] =    1586.213677 [cm-1]
+ (  0.238140   0.367481     0.137490   0.212165     0.000000  -0.000000   )
+ ( -0.088217  -0.418885    -0.050932  -0.241843    -0.000000   0.000000   )
+ ( -0.248313  -0.360685    -0.143364  -0.208242     0.000000  -0.000000   )
+ (  0.078725   0.420772     0.045452   0.242933    -0.000000   0.000000   )
+     freq (   12) =      47.697402 [THz] =    1591.014070 [cm-1]
+ ( -0.236385  -0.365853    -0.136477  -0.211225     0.000000  -0.000000   )
+ (  0.089878   0.420946     0.051891   0.243033    -0.000000   0.000000   )
+ ( -0.247971  -0.358101    -0.143166  -0.206750    -0.000000   0.000000   )
+ (  0.078559   0.423205     0.045356   0.244337     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1500      0.0866      0.0000
+ **************************************************************************
+     freq (    1) =       4.047839 [THz] =     135.021382 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.400894  -0.297679   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.475327  -0.157275   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.405430  -0.291471   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.500671   0.000000   )
+     freq (    2) =       7.387824 [THz] =     246.431288 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.401021  -0.297771   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.475039  -0.157645   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.405300   0.291920   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.500514   0.000000   )
+     freq (    3) =       9.195686 [THz] =     306.735056 [cm-1]
+ ( -0.199122  -0.148196     0.344889   0.256683    -0.000000  -0.000000   )
+ ( -0.172516  -0.183376     0.298806   0.317617     0.000000  -0.000000   )
+ ( -0.178350  -0.172635     0.308911   0.299013    -0.000000  -0.000000   )
+ ( -0.008885  -0.251614     0.015389   0.435808    -0.000000   0.000000   )
+     freq (    4) =       9.593559 [THz] =     320.006690 [cm-1]
+ (  0.148511  -0.197680    -0.257229   0.342391    -0.000000   0.000000   )
+ (  0.185583  -0.171540    -0.321440   0.297116     0.000000  -0.000000   )
+ ( -0.173533   0.176123     0.300568  -0.305054    -0.000000   0.000000   )
+ ( -0.252600   0.007761     0.437516  -0.013442    -0.000000   0.000000   )
+     freq (    5) =      15.002604 [THz] =     500.433007 [cm-1]
+ (  0.364275  -0.227143     0.210314  -0.131141     0.000000  -0.000000   )
+ (  0.433881  -0.049568     0.250501  -0.028618    -0.000000   0.000000   )
+ (  0.275572  -0.329166     0.159102  -0.190044     0.000000  -0.000000   )
+ (  0.406337  -0.160000     0.234599  -0.092376    -0.000000   0.000000   )
+     freq (    6) =      15.169762 [THz] =     506.008783 [cm-1]
+ ( -0.375965   0.204330    -0.217063   0.117970     0.000000  -0.000000   )
+ ( -0.437272   0.026329    -0.252459   0.015201    -0.000000   0.000000   )
+ (  0.291829  -0.312947     0.168488  -0.180680    -0.000000   0.000000   )
+ (  0.416440  -0.135932     0.240432  -0.078481     0.000000   0.000000   )
+     freq (    7) =      26.102117 [THz] =     870.672907 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.372247   0.334600   )
+ (  0.000000   0.000000     0.000000   0.000000     0.457481  -0.200465   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.406410  -0.292158   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.499475   0.000000   )
+     freq (    8) =      26.298260 [THz] =     877.215516 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.372347   0.334691   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.457168  -0.200841   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.406245   0.292618   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499339   0.000000   )
+     freq (    9) =      45.827977 [THz] =    1528.656776 [cm-1]
+ (  0.174558  -0.182765    -0.302343   0.316558    -0.000000   0.000000   )
+ ( -0.199472   0.146073     0.345496  -0.253006     0.000000  -0.000000   )
+ ( -0.188685   0.168141     0.326812  -0.291228     0.000000  -0.000000   )
+ (  0.247057   0.009468    -0.427915  -0.016399    -0.000000   0.000000   )
+     freq (   10) =      45.984904 [THz] =    1533.891281 [cm-1]
+ ( -0.178613   0.177425     0.309366  -0.307309    -0.000000   0.000000   )
+ (  0.204611  -0.140543    -0.354396   0.243427     0.000000  -0.000000   )
+ ( -0.192920   0.161753     0.334147  -0.280164    -0.000000   0.000000   )
+ (  0.247713   0.016008    -0.429051  -0.027727     0.000000   0.000000   )
+     freq (   11) =      47.732187 [THz] =    1592.174391 [cm-1]
+ (  0.279110   0.337787     0.161144   0.195021     0.000000  -0.000000   )
+ ( -0.104782  -0.414751    -0.060496  -0.239457    -0.000000   0.000000   )
+ ( -0.316383  -0.303157    -0.182664  -0.175028     0.000000  -0.000000   )
+ (  0.129428   0.407733     0.074725   0.235405    -0.000000   0.000000   )
+     freq (   12) =      47.817211 [THz] =    1595.010472 [cm-1]
+ ( -0.277647  -0.336926    -0.160300  -0.194524     0.000000  -0.000000   )
+ (  0.106595   0.415969     0.061543   0.240160    -0.000000   0.000000   )
+ ( -0.316227  -0.301011    -0.182574  -0.173789    -0.000000   0.000000   )
+ (  0.129337   0.409469     0.074673   0.236407     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1750      0.1010      0.0000
+ **************************************************************************
+     freq (    1) =       4.744135 [THz] =     158.247304 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.365035  -0.340377   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.465825  -0.184119   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.373412  -0.331165   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500892   0.000000   )
+     freq (    2) =       7.540632 [THz] =     251.528398 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000    -0.364987   0.340329   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.465644   0.184761   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.372921  -0.331616   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.500960   0.000000   )
+     freq (    3) =      10.616227 [THz] =     354.119212 [cm-1]
+ (  0.072463   0.236875    -0.125510  -0.410280    -0.000000   0.000000   )
+ (  0.024995   0.251027    -0.043293  -0.434791    -0.000000   0.000000   )
+ (  0.024998   0.246446    -0.043298  -0.426858     0.000000  -0.000000   )
+ ( -0.181114   0.175605     0.313698  -0.304156     0.000000   0.000000   )
+     freq (    4) =      10.862456 [THz] =     362.332537 [cm-1]
+ ( -0.034461  -0.244708     0.059688   0.423847    -0.000000   0.000000   )
+ (  0.015504  -0.252369    -0.026854   0.437116    -0.000000  -0.000000   )
+ ( -0.014717   0.246684     0.025491  -0.427269     0.000000  -0.000000   )
+ ( -0.206821   0.145449     0.358225  -0.251925    -0.000000   0.000000   )
+     freq (    5) =      17.357190 [THz] =     578.973532 [cm-1]
+ ( -0.337116   0.263588    -0.194634   0.152183    -0.000000   0.000000   )
+ ( -0.433539   0.062598    -0.250304   0.036141     0.000000  -0.000000   )
+ ( -0.029818   0.426892    -0.017215   0.246466    -0.000000   0.000000   )
+ ( -0.264774   0.348954    -0.152868   0.201469     0.000000   0.000000   )
+     freq (    6) =      17.435209 [THz] =     581.575984 [cm-1]
+ ( -0.343261   0.255305    -0.198182   0.147401     0.000000  -0.000000   )
+ ( -0.434735   0.054739    -0.250995   0.031604    -0.000000   0.000000   )
+ (  0.037485  -0.426150     0.021642  -0.246038    -0.000000   0.000000   )
+ (  0.273142  -0.342614     0.157699  -0.197808     0.000000   0.000000   )
+     freq (    7) =      25.917745 [THz] =     864.522904 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.311129  -0.392663   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.431379   0.250851   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.374808   0.332422   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.499013   0.000000   )
+     freq (    8) =      26.099271 [THz] =     870.577985 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.311055   0.392573   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.431159  -0.251461   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.374298   0.332821   )
+ (  0.000000   0.000000     0.000000   0.000000     0.499130   0.000000   )
+     freq (    9) =      45.480271 [THz] =    1517.058537 [cm-1]
+ (  0.151544  -0.202406    -0.262482   0.350577    -0.000000   0.000000   )
+ ( -0.184075   0.164872     0.318827  -0.285566     0.000000  -0.000000   )
+ ( -0.183013   0.174470     0.316988  -0.302191     0.000000  -0.000000   )
+ (  0.244686   0.034571    -0.423808  -0.059878    -0.000000   0.000000   )
+     freq (   10) =      45.601221 [THz] =    1521.093006 [cm-1]
+ (  0.151295  -0.201856    -0.262051   0.349624     0.000000  -0.000000   )
+ ( -0.185185   0.164532     0.320749  -0.284978    -0.000000   0.000000   )
+ (  0.183271  -0.173343    -0.317434   0.300239     0.000000  -0.000000   )
+ ( -0.245266  -0.034763     0.424814   0.060212    -0.000000   0.000000   )
+     freq (   11) =      47.862947 [THz] =    1596.536058 [cm-1]
+ (  0.316164   0.303628     0.182538   0.175300     0.000000  -0.000000   )
+ ( -0.120486  -0.410284    -0.069563  -0.236878    -0.000000   0.000000   )
+ ( -0.427773  -0.095708    -0.246975  -0.055257     0.000000  -0.000000   )
+ (  0.298016   0.306653     0.172060   0.177046    -0.000000   0.000000   )
+     freq (   12) =      47.896463 [THz] =    1597.654033 [cm-1]
+ ( -0.315847  -0.303243    -0.182354  -0.175077     0.000000  -0.000000   )
+ (  0.122952   0.410082     0.070986   0.236761    -0.000000   0.000000   )
+ ( -0.427811  -0.093236    -0.246997  -0.053830    -0.000000   0.000000   )
+ (  0.298371   0.307017     0.172265   0.177256     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2000      0.1155      0.0000
+ **************************************************************************
+     freq (    1) =       5.463075 [THz] =     182.228553 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.323478  -0.379771   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.454255  -0.211632   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.337645  -0.367233   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.501135   0.000000   )
+     freq (    2) =       7.781023 [THz] =     259.546978 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000    -0.323271   0.379521   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.454154   0.212611   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.336741  -0.367623   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.501457   0.000000   )
+     freq (    3) =      11.969591 [THz] =     399.262587 [cm-1]
+ ( -0.153151  -0.194061     0.265266   0.336123     0.000000  -0.000000   )
+ ( -0.110695  -0.227226     0.191729   0.393567     0.000000   0.000000   )
+ ( -0.084367  -0.232373     0.146129   0.402481    -0.000000   0.000000   )
+ (  0.161583  -0.194361    -0.279870   0.336642    -0.000000   0.000000   )
+     freq (    4) =      12.107086 [THz] =     403.848934 [cm-1]
+ (  0.064494   0.238399    -0.111707  -0.412919     0.000000  -0.000000   )
+ (  0.011878   0.252716    -0.020574  -0.437717     0.000000   0.000000   )
+ (  0.014350  -0.246551    -0.024855   0.427039     0.000000   0.000000   )
+ (  0.225188  -0.115313    -0.390037   0.199727     0.000000   0.000000   )
+     freq (    5) =      19.621706 [THz] =     654.509663 [cm-1]
+ ( -0.302270   0.301169    -0.174516   0.173880     0.000000   0.000000   )
+ ( -0.431466   0.082261    -0.249107   0.047493    -0.000000  -0.000000   )
+ (  0.389388   0.174491     0.224813   0.100742    -0.000000   0.000000   )
+ (  0.205962   0.387956     0.118912   0.223986     0.000000   0.000000   )
+     freq (    6) =      19.690570 [THz] =     656.806703 [cm-1]
+ ( -0.304441   0.300027    -0.175769   0.173221    -0.000000  -0.000000   )
+ ( -0.431154   0.080035    -0.248927   0.046208     0.000000   0.000000   )
+ ( -0.389212  -0.176677    -0.224711  -0.102004    -0.000000   0.000000   )
+ ( -0.203507  -0.388438    -0.117495  -0.224265     0.000000   0.000000   )
+     freq (    7) =      25.688012 [THz] =     856.859847 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.231182  -0.445042   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.393013   0.306649   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.339371   0.369235   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.498490   0.000000   )
+     freq (    8) =      25.855873 [THz] =     862.459084 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.230986   0.444672   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.392873  -0.307511   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.338524   0.369445   )
+ (  0.000000   0.000000     0.000000   0.000000     0.498911   0.000000   )
+     freq (    9) =      45.094847 [THz] =    1504.202195 [cm-1]
+ (  0.121035  -0.222167    -0.209639   0.384804     0.000000   0.000000   )
+ ( -0.161663   0.186702     0.280009  -0.323377     0.000000  -0.000000   )
+ ( -0.182555   0.175160     0.316195  -0.303386     0.000000  -0.000000   )
+ (  0.237545   0.067562    -0.411440  -0.117021    -0.000000   0.000000   )
+     freq (   10) =      45.187038 [THz] =    1507.277350 [cm-1]
+ ( -0.127844   0.218037     0.221432  -0.377651    -0.000000   0.000000   )
+ (  0.168067  -0.181299    -0.291100   0.314020     0.000000  -0.000000   )
+ ( -0.188195   0.168721     0.325963  -0.292234    -0.000000   0.000000   )
+ (  0.235544   0.075067    -0.407973  -0.130020     0.000000   0.000000   )
+     freq (   11) =      47.901856 [THz] =    1597.833934 [cm-1]
+ ( -0.348609  -0.266022    -0.201270  -0.153588     0.000000  -0.000000   )
+ (  0.136197   0.405159     0.078633   0.233919    -0.000000  -0.000000   )
+ ( -0.003843  -0.438499    -0.002219  -0.253168    -0.000000   0.000000   )
+ ( -0.259766   0.339449    -0.149976   0.195981     0.000000   0.000000   )
+     freq (   12) =      47.935051 [THz] =    1598.941188 [cm-1]
+ (  0.350428   0.264827     0.202320   0.152898     0.000000  -0.000000   )
+ ( -0.137695  -0.403865    -0.079498  -0.233171    -0.000000  -0.000000   )
+ ( -0.005740  -0.439204    -0.003314  -0.253575     0.000000  -0.000000   )
+ ( -0.257723   0.340067    -0.148796   0.196338    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2250      0.1299      0.0000
+ **************************************************************************
+     freq (    1) =       6.212729 [THz] =     207.234344 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.276120  -0.415167   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.440171  -0.240091   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.298414  -0.399443   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.501392   0.000000   )
+     freq (    2) =       8.123421 [THz] =     270.968147 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000    -0.275783   0.414645   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.440120   0.241470   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.297053  -0.399682   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.502009  -0.000000   )
+     freq (    3) =      13.237395 [THz] =     441.551958 [cm-1]
+ (  0.152258   0.194200    -0.263719  -0.336364    -0.000000   0.000000   )
+ (  0.107429   0.229266    -0.186072  -0.397101    -0.000000  -0.000000   )
+ (  0.007663   0.246652    -0.013273  -0.427214     0.000000   0.000000   )
+ ( -0.231709   0.102053     0.401332  -0.176761     0.000000   0.000000   )
+     freq (    4) =      13.301389 [THz] =     443.686570 [cm-1]
+ ( -0.140620  -0.202788     0.243562   0.351239    -0.000000   0.000000   )
+ ( -0.093669  -0.235221     0.162239   0.407415    -0.000000  -0.000000   )
+ ( -0.006954   0.246675     0.012044  -0.427254    -0.000000  -0.000000   )
+ ( -0.237290   0.088298     0.410998  -0.152937    -0.000000   0.000000   )
+     freq (    5) =      21.800956 [THz] =     727.201632 [cm-1]
+ ( -0.248712   0.346040    -0.143594   0.199786     0.000000  -0.000000   )
+ ( -0.423244   0.119430    -0.244360   0.068953    -0.000000  -0.000000   )
+ (  0.416637  -0.089523     0.240546  -0.051686    -0.000000   0.000000   )
+ (  0.379553   0.222123     0.219135   0.128243     0.000000   0.000000   )
+     freq (    6) =      21.906273 [THz] =     730.714626 [cm-1]
+ ( -0.257968   0.339344    -0.148938   0.195920    -0.000000   0.000000   )
+ ( -0.426430   0.107031    -0.246200   0.061795     0.000000   0.000000   )
+ ( -0.419188   0.077349    -0.242018   0.044657    -0.000000   0.000000   )
+ ( -0.373349  -0.232182    -0.215553  -0.134050     0.000000   0.000000   )
+     freq (    7) =      25.406628 [THz] =     847.473888 [cm-1]
+ (  0.000000  -0.000000     0.000000  -0.000000     0.130905  -0.484726   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.338607   0.365034   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.300317   0.402374   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.497900   0.000000   )
+     freq (    8) =      25.562923 [THz] =     852.687339 [cm-1]
+ ( -0.000000   0.000000    -0.000000   0.000000     0.130696  -0.483974   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.338566   0.366144   )
+ (  0.000000   0.000000     0.000000   0.000000     0.299222  -0.402216   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.498686   0.000000   )
+     freq (    9) =      44.682614 [THz] =    1490.451557 [cm-1]
+ (  0.098779  -0.233127    -0.171090   0.403788     0.000000   0.000000   )
+ ( -0.144886   0.199756     0.250950  -0.345988     0.000000  -0.000000   )
+ ( -0.198504   0.157168     0.343819  -0.272222     0.000000  -0.000000   )
+ (  0.214482   0.122033    -0.371494  -0.211367    -0.000000   0.000000   )
+     freq (   10) =      44.755754 [THz] =    1492.891268 [cm-1]
+ ( -0.096607   0.234027     0.167328  -0.405346     0.000000   0.000000   )
+ (  0.143151  -0.201013    -0.247945   0.348165     0.000000  -0.000000   )
+ ( -0.197123   0.158883     0.341427  -0.275194    -0.000000   0.000000   )
+ (  0.215615   0.120036    -0.373456  -0.207909     0.000000   0.000000   )
+     freq (   11) =      47.837117 [THz] =    1595.674456 [cm-1]
+ ( -0.377532  -0.225414    -0.217968  -0.130143     0.000000  -0.000000   )
+ (  0.150138   0.398894     0.086682   0.230302    -0.000000   0.000000   )
+ ( -0.208884  -0.386923    -0.120599  -0.223390    -0.000000   0.000000   )
+ ( -0.103854   0.413367    -0.059960   0.238658     0.000000   0.000000   )
+     freq (   12) =      47.907028 [THz] =    1598.006446 [cm-1]
+ (  0.378578   0.223683     0.218572   0.129144     0.000000  -0.000000   )
+ ( -0.151021  -0.398544    -0.087192  -0.230100    -0.000000   0.000000   )
+ ( -0.209781  -0.386455    -0.121117  -0.223120     0.000000  -0.000000   )
+ ( -0.101918   0.413833    -0.058842   0.238926    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2500      0.1443      0.0000
+ **************************************************************************
+     freq (    1) =       7.000059 [THz] =     233.496822 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.222960  -0.445675   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.422977  -0.269729   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.255893  -0.427616   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.501660  -0.000000   )
+     freq (    2) =       8.575611 [THz] =     286.051599 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.222535  -0.444795   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.422947  -0.271572   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.254045   0.427581   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.502629   0.000000   )
+     freq (    3) =      14.394608 [THz] =     480.152453 [cm-1]
+ ( -0.179092  -0.169428     0.310197   0.293459     0.000000  -0.000000   )
+ ( -0.139045  -0.211865     0.240832   0.366960     0.000000   0.000000   )
+ (  0.184061  -0.164017    -0.318803   0.284086    -0.000000  -0.000000   )
+ (  0.207628   0.145295    -0.359622  -0.251659    -0.000000   0.000000   )
+     freq (    4) =      14.427454 [THz] =     481.248069 [cm-1]
+ (  0.154465   0.191992    -0.267541  -0.332539     0.000000   0.000000   )
+ (  0.109470   0.228683    -0.189608  -0.396091    -0.000000   0.000000   )
+ (  0.204262  -0.137830    -0.353793   0.238728     0.000000  -0.000000   )
+ (  0.186170   0.172106    -0.322456  -0.298097     0.000000   0.000000   )
+     freq (    5) =      23.909806 [THz] =     797.545274 [cm-1]
+ (  0.081868   0.417617     0.047267   0.241112     0.000000  -0.000000   )
+ ( -0.233445   0.373359    -0.134779   0.215559    -0.000000   0.000000   )
+ (  0.168286  -0.390879     0.097160  -0.225674    -0.000000   0.000000   )
+ (  0.414265  -0.149258     0.239176  -0.086174     0.000000   0.000000   )
+     freq (    6) =      24.046417 [THz] =     802.102148 [cm-1]
+ ( -0.055256  -0.421379    -0.031902  -0.243283     0.000000  -0.000000   )
+ (  0.257969  -0.357545     0.148938  -0.206429    -0.000000   0.000000   )
+ (  0.193561  -0.378349     0.111752  -0.218440     0.000000  -0.000000   )
+ (  0.423415  -0.122909     0.244459  -0.070962    -0.000000   0.000000   )
+     freq (    7) =      25.067835 [THz] =     836.172979 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.012409  -0.502596   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.265371   0.420501   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.257738   0.431657   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.497236   0.000000   )
+     freq (    8) =      25.215648 [THz] =     841.103466 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.012374   0.501387   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.265513  -0.421854   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.256602   0.430926   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.498456   0.000000   )
+     freq (    9) =      44.257967 [THz] =    1476.286872 [cm-1]
+ ( -0.076813   0.241523     0.133044  -0.418330    -0.000000  -0.000000   )
+ (  0.126817  -0.211385    -0.219654   0.366130    -0.000000   0.000000   )
+ (  0.213119  -0.137164    -0.369133   0.237575    -0.000000   0.000000   )
+ ( -0.177574  -0.170979     0.307567   0.296145     0.000000   0.000000   )
+     freq (   10) =      44.321605 [THz] =    1478.409590 [cm-1]
+ ( -0.079250   0.240802     0.137264  -0.417081     0.000000   0.000000   )
+ (  0.128575  -0.210244    -0.222698   0.364153     0.000000  -0.000000   )
+ ( -0.214337   0.135373     0.371242  -0.234473    -0.000000   0.000000   )
+ (  0.175797   0.172712    -0.304490  -0.299145     0.000000   0.000000   )
+     freq (   11) =      47.675863 [THz] =    1590.295603 [cm-1]
+ ( -0.380479   0.222835    -0.219670   0.128654     0.000000   0.000000   )
+ (  0.414450   0.093865     0.239283   0.054193    -0.000000  -0.000000   )
+ ( -0.440271   0.024109    -0.254191   0.013919    -0.000000  -0.000000   )
+ (  0.306975   0.293847     0.177232   0.169653    -0.000000   0.000000   )
+     freq (   12) =      47.775822 [THz] =    1593.629874 [cm-1]
+ (  0.380948  -0.220768     0.219940  -0.127460     0.000000   0.000000   )
+ ( -0.414399  -0.097026    -0.239253  -0.056018    -0.000000  -0.000000   )
+ ( -0.439798   0.020919    -0.253917   0.012078     0.000000   0.000000   )
+ (  0.306125   0.295682     0.176741   0.170712     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2750      0.1588      0.0000
+ **************************************************************************
+     freq (    1) =       7.829769 [THz] =     261.172968 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.164228  -0.470202   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.401919  -0.300665   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.210078  -0.451584   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.501935  -0.000000   )
+     freq (    2) =       9.137683 [THz] =     304.800292 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.163781  -0.468859   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.401882  -0.303048   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.207734   0.451109   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.503336   0.000000   )
+     freq (    3) =      15.419617 [THz] =     514.343061 [cm-1]
+ (  0.204840   0.136982    -0.354794  -0.237259    -0.000000  -0.000000   )
+ (  0.173201   0.185143    -0.299993  -0.320677     0.000000  -0.000000   )
+ ( -0.246040   0.013702     0.426154  -0.023732     0.000000   0.000000   )
+ ( -0.032322  -0.251459     0.055983   0.435540     0.000000   0.000000   )
+     freq (    4) =      15.467377 [THz] =     515.936152 [cm-1]
+ (  0.154288   0.191614    -0.267235  -0.331886     0.000000   0.000000   )
+ (  0.110075   0.228829    -0.190655  -0.396343    -0.000000   0.000000   )
+ (  0.238477   0.060411    -0.413055  -0.104635     0.000000  -0.000000   )
+ ( -0.044370   0.250021     0.076852  -0.433049     0.000000   0.000000   )
+     freq (    5) =      24.666902 [THz] =     822.799272 [cm-1]
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.116694  -0.489775   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.173402   0.465225   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.211533   0.456893   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.496490   0.000000   )
+     freq (    6) =      24.810080 [THz] =     827.575203 [cm-1]
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.116302  -0.488121   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.173897   0.466874   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.210718  -0.455397   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.498208   0.000000   )
+     freq (    7) =      25.942701 [THz] =     865.355354 [cm-1]
+ (  0.255762  -0.339254     0.147665  -0.195869    -0.000000   0.000000   )
+ (  0.439186  -0.040097     0.253564  -0.023150     0.000000   0.000000   )
+ ( -0.397154   0.150920    -0.229297   0.087134     0.000000  -0.000000   )
+ ( -0.380294  -0.223314    -0.219563  -0.128930    -0.000000   0.000000   )
+     freq (    8) =      26.099207 [THz] =     870.575846 [cm-1]
+ ( -0.215834   0.364546    -0.124612   0.210471    -0.000000   0.000000   )
+ ( -0.433430   0.087522    -0.250241   0.050531     0.000000   0.000000   )
+ ( -0.377476   0.192328    -0.217936   0.111040    -0.000000   0.000000   )
+ ( -0.403809  -0.180168    -0.233139  -0.104020     0.000000   0.000000   )
+     freq (    9) =      43.838310 [THz] =    1462.288606 [cm-1]
+ (  0.118563  -0.224311    -0.205357   0.388519    -0.000000   0.000000   )
+ ( -0.161853   0.185556     0.280338  -0.321392    -0.000000   0.000000   )
+ ( -0.243406   0.071598     0.421591  -0.124012     0.000000   0.000000   )
+ (  0.086749   0.230438    -0.150254  -0.399131    -0.000000   0.000000   )
+     freq (   10) =      43.898644 [THz] =    1464.301161 [cm-1]
+ (  0.090109  -0.237199    -0.156073   0.410840     0.000000  -0.000000   )
+ ( -0.137150   0.204468     0.237551  -0.354148     0.000000   0.000000   )
+ (  0.232462  -0.101706    -0.402636   0.176161     0.000000  -0.000000   )
+ ( -0.114377  -0.218026     0.198106   0.377631    -0.000000   0.000000   )
+     freq (   11) =      47.409736 [THz] =    1581.418556 [cm-1]
+ ( -0.424214  -0.124848    -0.244920  -0.072081    -0.000000   0.000000   )
+ (  0.184484   0.381341     0.106512   0.220167     0.000000  -0.000000   )
+ ( -0.318519  -0.306741    -0.183897  -0.177097     0.000000  -0.000000   )
+ ( -0.037928   0.421920    -0.021898   0.243596    -0.000000   0.000000   )
+     freq (   12) =      47.529713 [THz] =    1585.420558 [cm-1]
+ (  0.423692   0.122289     0.244619   0.070603    -0.000000   0.000000   )
+ ( -0.185979  -0.382024    -0.107375  -0.220562     0.000000  -0.000000   )
+ ( -0.318430  -0.305077    -0.183846  -0.176136    -0.000000   0.000000   )
+ ( -0.035780   0.423380    -0.020658   0.244438     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3000      0.1732      0.0000
+ **************************************************************************
+     freq (    1) =       8.703337 [THz] =     290.312067 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.100500  -0.487524   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.376045  -0.332880   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.160714  -0.471117   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.502215  -0.000000   )
+     freq (    2) =       9.802336 [THz] =     326.970731 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.100130  -0.485582   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.375967  -0.335906   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.157890   0.469986   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.504167   0.000000   )
+     freq (    3) =      16.318010 [THz] =     544.310240 [cm-1]
+ ( -0.193395  -0.152449     0.334969   0.264050     0.000000   0.000000   )
+ ( -0.160323  -0.196607     0.277687   0.340534    -0.000000   0.000000   )
+ (  0.239067   0.059071    -0.414076  -0.102314    -0.000000  -0.000000   )
+ ( -0.083942   0.239398     0.145392  -0.414650    -0.000000   0.000000   )
+     freq (    4) =      16.382537 [THz] =     546.462629 [cm-1]
+ ( -0.184761  -0.162048     0.320015   0.280675    -0.000000  -0.000000   )
+ ( -0.149715  -0.205400     0.259313   0.355764     0.000000  -0.000000   )
+ ( -0.235031  -0.071811     0.407085   0.124380    -0.000000  -0.000000   )
+ (  0.096574  -0.235111    -0.167271   0.407225    -0.000000   0.000000   )
+     freq (    5) =      24.200686 [THz] =     807.247986 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.243553   0.441597   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.067097  -0.491092   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.161337  -0.477804   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.495655   0.000000   )
+     freq (    6) =      24.343561 [THz] =     812.013776 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.242465   0.439645   )
+ (  0.000000   0.000000     0.000000   0.000000     0.068187  -0.493228   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.161368   0.475434   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.497919   0.000000   )
+     freq (    7) =      27.892387 [THz] =     930.389876 [cm-1]
+ ( -0.178852   0.384425    -0.103260   0.221948     0.000000  -0.000000   )
+ ( -0.431324   0.095858    -0.249025   0.055344    -0.000000  -0.000000   )
+ (  0.356854  -0.228968     0.206030  -0.132195    -0.000000   0.000000   )
+ (  0.407340   0.171183     0.235178   0.098832     0.000000   0.000000   )
+     freq (    8) =      28.058550 [THz] =     935.932499 [cm-1]
+ (  0.168786  -0.386999     0.097449  -0.223434     0.000000  -0.000000   )
+ (  0.430890  -0.105244     0.248775  -0.060763    -0.000000  -0.000000   )
+ (  0.350548  -0.235316     0.202389  -0.135860     0.000000  -0.000000   )
+ (  0.412928   0.161966     0.238404   0.093511    -0.000000   0.000000   )
+     freq (    9) =      43.441432 [THz] =    1449.050204 [cm-1]
+ ( -0.225038  -0.117678     0.389777   0.203824     0.000000   0.000000   )
+ (  0.187502   0.159226    -0.324764  -0.275787     0.000000   0.000000   )
+ (  0.074582   0.242750    -0.129181  -0.420455    -0.000000  -0.000000   )
+ (  0.240780  -0.050348    -0.417043   0.087205     0.000000   0.000000   )
+     freq (   10) =      43.500894 [THz] =    1451.033621 [cm-1]
+ ( -0.202367  -0.153359     0.350510   0.265626    -0.000000  -0.000000   )
+ (  0.159323   0.187469    -0.275956  -0.324705     0.000000  -0.000000   )
+ ( -0.034324  -0.251582     0.059450   0.435753     0.000000  -0.000000   )
+ ( -0.245835   0.009672     0.425799  -0.016752     0.000000   0.000000   )
+     freq (   11) =      47.033359 [THz] =    1568.863983 [cm-1]
+ ( -0.437109  -0.075447    -0.252365  -0.043559    -0.000000   0.000000   )
+ (  0.196093   0.373886     0.113215   0.215863     0.000000  -0.000000   )
+ ( -0.342360  -0.282040    -0.197661  -0.162836     0.000000  -0.000000   )
+ ( -0.036436   0.420614    -0.021036   0.242841    -0.000000   0.000000   )
+     freq (   12) =      47.163461 [THz] =    1573.203731 [cm-1]
+ (  0.435849   0.072462     0.251638   0.041836    -0.000000   0.000000   )
+ ( -0.198154  -0.374859    -0.114404  -0.216425     0.000000  -0.000000   )
+ ( -0.341961  -0.279782    -0.197431  -0.161532    -0.000000   0.000000   )
+ ( -0.033929   0.422651    -0.019589   0.244017     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3250      0.1876      0.0000
+ **************************************************************************
+     freq (    1) =       9.618246 [THz] =     320.830143 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.032667  -0.496414   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.344025  -0.366269   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.107178  -0.485805   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.502500  -0.000000   )
+     freq (    2) =      10.556059 [THz] =     352.112228 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.032531  -0.493703   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.343844  -0.370095   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.103919   0.483737   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.505172   0.000000   )
+     freq (    3) =      17.083606 [THz] =     569.847742 [cm-1]
+ (  0.203481   0.138439    -0.352439  -0.239783    -0.000000  -0.000000   )
+ (  0.176845   0.182088    -0.306305  -0.315385     0.000000  -0.000000   )
+ ( -0.240048  -0.054284     0.415775   0.094023    -0.000000   0.000000   )
+ (  0.119695  -0.223838    -0.207317   0.387698     0.000000   0.000000   )
+     freq (    4) =      17.156271 [THz] =     572.271605 [cm-1]
+ ( -0.186770  -0.159493     0.323496   0.276250    -0.000000  -0.000000   )
+ ( -0.155672  -0.201109     0.269632   0.348331     0.000000  -0.000000   )
+ ( -0.231987  -0.080643     0.401813   0.139677    -0.000000  -0.000000   )
+ (  0.143706  -0.209827    -0.248907   0.363430    -0.000000   0.000000   )
+     freq (    5) =      23.668303 [THz] =     789.489613 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.353715   0.360764   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.045494  -0.492610   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.106410  -0.493905   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.494707   0.000000   )
+     freq (    6) =      23.815329 [THz] =     794.393871 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.351728   0.358786   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.043569  -0.495643   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.107953   0.490700   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.497554   0.000000   )
+     freq (    7) =      29.753317 [THz] =     992.463825 [cm-1]
+ ( -0.130722   0.402179    -0.075472   0.232198     0.000000  -0.000000   )
+ ( -0.428531   0.111913    -0.247413   0.064613    -0.000000  -0.000000   )
+ (  0.333030  -0.260629     0.192275  -0.150474    -0.000000   0.000000   )
+ (  0.411815   0.163010     0.237761   0.094114     0.000000   0.000000   )
+     freq (    8) =      29.920940 [THz] =     998.055121 [cm-1]
+ (  0.129090  -0.400269     0.074530  -0.231095     0.000000  -0.000000   )
+ (  0.430803  -0.111936     0.248724  -0.064626    -0.000000  -0.000000   )
+ (  0.331571  -0.258728     0.191432  -0.149377     0.000000  -0.000000   )
+ (  0.414208   0.162950     0.239143   0.094079    -0.000000   0.000000   )
+     freq (    9) =      43.082711 [THz] =    1437.084555 [cm-1]
+ (  0.160004   0.197397    -0.277135  -0.341902    -0.000000  -0.000000   )
+ ( -0.112389  -0.218636     0.194664   0.378689     0.000000  -0.000000   )
+ (  0.001518  -0.254096    -0.002629   0.440107    -0.000000   0.000000   )
+ ( -0.236867  -0.065780     0.410266   0.113934    -0.000000   0.000000   )
+     freq (   10) =      43.141862 [THz] =    1439.057632 [cm-1]
+ ( -0.146037  -0.207883     0.252944   0.360063    -0.000000  -0.000000   )
+ (  0.098205   0.225419    -0.170097  -0.390437     0.000000  -0.000000   )
+ (  0.017792  -0.253427    -0.030817   0.438949     0.000000  -0.000000   )
+ ( -0.231823  -0.081950     0.401530   0.141942     0.000000   0.000000   )
+     freq (   11) =      46.545160 [THz] =    1552.579405 [cm-1]
+ ( -0.444498  -0.023354    -0.256631  -0.013483    -0.000000   0.000000   )
+ (  0.207936   0.365566     0.120052   0.211060     0.000000  -0.000000   )
+ ( -0.358414  -0.263939    -0.206930  -0.152385     0.000000  -0.000000   )
+ ( -0.044014   0.418257    -0.025412   0.241481    -0.000000   0.000000   )
+     freq (   12) =      46.676751 [THz] =    1556.968821 [cm-1]
+ (  0.442454   0.019871     0.255451   0.011473    -0.000000   0.000000   )
+ ( -0.210627  -0.366709    -0.121606  -0.211720     0.000000  -0.000000   )
+ ( -0.357777  -0.261067    -0.206563  -0.150727    -0.000000   0.000000   )
+ ( -0.040982   0.420904    -0.023661   0.243009     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3500      0.2021      0.0000
+ **************************************************************************
+     freq (    1) =      10.567318 [THz] =     352.487787 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.038285  -0.495717   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.303695  -0.400710   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.048297  -0.494841   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.502792   0.000000   )
+     freq (    2) =      11.380377 [THz] =     379.608507 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.037938   0.492016   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.303273   0.405593   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.044688  -0.491449   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.506439   0.000000   )
+     freq (    3) =      17.711626 [THz] =     590.796245 [cm-1]
+ (  0.195093   0.149852    -0.337912  -0.259551    -0.000000  -0.000000   )
+ (  0.170352   0.188316    -0.295059  -0.326173     0.000000  -0.000000   )
+ ( -0.237945  -0.062443     0.412133   0.108155    -0.000000   0.000000   )
+ (  0.164463  -0.193481    -0.284858   0.335119     0.000000   0.000000   )
+     freq (    4) =      17.784167 [THz] =     593.215950 [cm-1]
+ (  0.203012   0.138109    -0.351627  -0.239212     0.000000   0.000000   )
+ (  0.180695   0.179057    -0.312973  -0.310136    -0.000000   0.000000   )
+ (  0.240536   0.049297    -0.416621  -0.085384     0.000000   0.000000   )
+ ( -0.153343   0.202973     0.265598  -0.351560     0.000000   0.000000   )
+     freq (    5) =      23.072007 [THz] =     769.599306 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.436307   0.256919   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.155482  -0.468460   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.045427  -0.504289   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.493588   0.000000   )
+     freq (    6) =      23.227349 [THz] =     774.780953 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.433312   0.255245   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.152590  -0.473082   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.049273   0.500481   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.497082   0.000000   )
+     freq (    7) =      31.522148 [THz] =    1051.465664 [cm-1]
+ ( -0.100015   0.409382    -0.057744   0.236357     0.000000  -0.000000   )
+ ( -0.431147   0.107309    -0.248923   0.061955    -0.000000  -0.000000   )
+ (  0.324315  -0.269103     0.187243  -0.155367    -0.000000   0.000000   )
+ (  0.405823   0.180861     0.234302   0.104420     0.000000   0.000000   )
+     freq (    8) =      31.685006 [THz] =    1056.898031 [cm-1]
+ ( -0.104655   0.405299    -0.060422   0.234000    -0.000000   0.000000   )
+ ( -0.435518   0.100517    -0.251446   0.058034     0.000000   0.000000   )
+ ( -0.326725   0.261669    -0.188635   0.151075    -0.000000   0.000000   )
+ ( -0.405799  -0.187368    -0.234288  -0.108177     0.000000   0.000000   )
+     freq (    9) =      42.773561 [THz] =    1426.772409 [cm-1]
+ ( -0.172982  -0.186225     0.299614   0.322552     0.000000   0.000000   )
+ (  0.131421   0.207668    -0.227627  -0.359691    -0.000000   0.000000   )
+ (  0.056333   0.247849    -0.097572  -0.429288     0.000000  -0.000000   )
+ (  0.239808   0.053751    -0.415360  -0.093100     0.000000  -0.000000   )
+     freq (   10) =      42.832564 [THz] =    1428.740548 [cm-1]
+ ( -0.159651  -0.197746     0.276524   0.342507    -0.000000  -0.000000   )
+ (  0.117752   0.215737    -0.203952  -0.373667     0.000000  -0.000000   )
+ ( -0.040174  -0.250955     0.069583   0.434666     0.000000  -0.000000   )
+ ( -0.235517  -0.070280     0.407928   0.121729     0.000000   0.000000   )
+     freq (   11) =      45.946867 [THz] =    1532.622505 [cm-1]
+ (  0.445902  -0.030599     0.257442  -0.017667     0.000000  -0.000000   )
+ ( -0.219622  -0.356372    -0.126799  -0.205751    -0.000000   0.000000   )
+ (  0.367157   0.254874     0.211978   0.147152    -0.000000   0.000000   )
+ (  0.061777  -0.414027     0.035667  -0.239039     0.000000   0.000000   )
+     freq (   12) =      46.073285 [THz] =    1536.839359 [cm-1]
+ (  0.442999  -0.034205     0.255765  -0.019748    -0.000000   0.000000   )
+ ( -0.222541  -0.357852    -0.128484  -0.206606     0.000000  -0.000000   )
+ ( -0.366084  -0.251794    -0.211359  -0.145373    -0.000000   0.000000   )
+ ( -0.058516   0.417323    -0.033784   0.240941     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3750      0.2165      0.0000
+ **************************************************************************
+     freq (    1) =      11.537818 [THz] =     384.860176 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.111651  -0.484189   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.251124  -0.435927   )
+ ( -0.000000   0.000000    -0.000000   0.000000    -0.017948  -0.496571   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.503086   0.000000   )
+     freq (    2) =      12.252343 [THz] =     408.694162 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.110408   0.479201   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.250122   0.442284   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.021761  -0.491274   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.508111   0.000000   )
+     freq (    3) =      18.204598 [THz] =     607.240022 [cm-1]
+ (  0.199451   0.143900    -0.345459  -0.249241    -0.000000   0.000000   )
+ (  0.180739   0.178454    -0.313049  -0.309091     0.000000  -0.000000   )
+ ( -0.243085  -0.037383     0.421035   0.064749    -0.000000   0.000000   )
+ (  0.179340  -0.179860    -0.310625   0.311526     0.000000   0.000000   )
+     freq (    4) =      18.270308 [THz] =     609.431885 [cm-1]
+ (  0.204350   0.136120    -0.353945  -0.235767     0.000000  -0.000000   )
+ (  0.187089   0.172366    -0.324048  -0.298546    -0.000000   0.000000   )
+ (  0.243825   0.028933    -0.422317  -0.050113     0.000000   0.000000   )
+ ( -0.172778   0.186708     0.299260  -0.323388     0.000000   0.000000   )
+     freq (    5) =      22.418610 [THz] =     747.804334 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.487175   0.142925   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.256033  -0.420333   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.023888  -0.507145   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.492172   0.000000   )
+     freq (    6) =      22.585590 [THz] =     753.374201 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.483087   0.141888   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.252294  -0.427601   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.016778   0.503213   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.496483   0.000000   )
+     freq (    7) =      33.197664 [THz] =    1107.354871 [cm-1]
+ (  0.185127  -0.376274     0.106883  -0.217242    -0.000000   0.000000   )
+ (  0.445402   0.027635     0.257153   0.015955     0.000000   0.000000   )
+ ( -0.384350   0.167715    -0.221905   0.096830     0.000000  -0.000000   )
+ ( -0.320620  -0.310401    -0.185110  -0.179210    -0.000000   0.000000   )
+     freq (    8) =      33.351229 [THz] =    1112.477260 [cm-1]
+ ( -0.172583   0.378507    -0.099641   0.218531    -0.000000   0.000000   )
+ ( -0.449068  -0.016890    -0.259270  -0.009751     0.000000   0.000000   )
+ ( -0.377171   0.175484    -0.217760   0.101316    -0.000000   0.000000   )
+ ( -0.331819  -0.303057    -0.191576  -0.174970     0.000000   0.000000   )
+     freq (    9) =      42.520612 [THz] =    1418.334934 [cm-1]
+ ( -0.192839  -0.165591     0.334007   0.286811     0.000000   0.000000   )
+ (  0.159012   0.187371    -0.275417  -0.324536     0.000000   0.000000   )
+ (  0.125385   0.221102    -0.217172  -0.382959     0.000000  -0.000000   )
+ (  0.244211   0.027457    -0.422985  -0.047557     0.000000  -0.000000   )
+     freq (   10) =      42.579468 [THz] =    1420.298180 [cm-1]
+ ( -0.186866  -0.172332     0.323661   0.298488    -0.000000  -0.000000   )
+ (  0.153080   0.192222    -0.265142  -0.332938     0.000000  -0.000000   )
+ ( -0.118407  -0.224938     0.205087   0.389604    -0.000000  -0.000000   )
+ ( -0.243059  -0.036124     0.420991   0.062569     0.000000   0.000000   )
+     freq (   11) =      45.242694 [THz] =    1509.133814 [cm-1]
+ (  0.441078  -0.085681     0.254656  -0.049468     0.000000  -0.000000   )
+ ( -0.230752  -0.346211    -0.133225  -0.199885    -0.000000   0.000000   )
+ (  0.367325   0.258773     0.212075   0.149403    -0.000000   0.000000   )
+ (  0.092566  -0.405636     0.053443  -0.234194     0.000000   0.000000   )
+     freq (   12) =      45.359775 [THz] =    1513.039247 [cm-1]
+ (  0.437311  -0.089228     0.252482  -0.051516    -0.000000   0.000000   )
+ ( -0.233522  -0.348231    -0.134824  -0.201051     0.000000  -0.000000   )
+ ( -0.365713  -0.255846    -0.211144  -0.147713    -0.000000   0.000000   )
+ ( -0.089243   0.409674    -0.051524   0.236525     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4000      0.2309      0.0000
+ **************************************************************************
+     freq (    1) =      12.509532 [THz] =     417.273058 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.187465   0.459879   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.178786   0.470535   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.094907   0.487468   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.503357   0.000000   )
+     freq (    2) =      13.143308 [THz] =     438.413557 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.184583  -0.453191   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.176390  -0.478993   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.098586   0.479305   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.510438   0.000000   )
+     freq (    3) =      18.572543 [THz] =     619.513364 [cm-1]
+ (  0.219470   0.110960    -0.380133  -0.192188    -0.000000   0.000000   )
+ (  0.210657   0.141932    -0.364868  -0.245834     0.000000  -0.000000   )
+ ( -0.244043   0.030364     0.422695  -0.052591     0.000000   0.000000   )
+ (  0.162449  -0.195272    -0.281370   0.338221     0.000000   0.000000   )
+     freq (    4) =      18.626692 [THz] =     621.319573 [cm-1]
+ ( -0.191645  -0.153569     0.331938   0.265989    -0.000000   0.000000   )
+ ( -0.176733  -0.182905     0.306111   0.316801     0.000000   0.000000   )
+ ( -0.244677  -0.021082     0.423792   0.036516    -0.000000  -0.000000   )
+ (  0.199455  -0.157818    -0.345467   0.273349    -0.000000   0.000000   )
+     freq (    5) =      21.722257 [THz] =     724.576497 [cm-1]
+ (  0.000000  -0.000000     0.000000  -0.000000     0.508662   0.031081   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.343185  -0.350030   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.105352  -0.498602   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.490201   0.000000   )
+     freq (    6) =      21.902420 [THz] =     730.586098 [cm-1]
+ ( -0.000000   0.000000    -0.000000   0.000000     0.503238   0.031049   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.339243  -0.361527   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.093693   0.495413   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.495770   0.000000   )
+     freq (    7) =      34.780341 [THz] =    1160.147283 [cm-1]
+ (  0.261263   0.323955     0.150840   0.187035    -0.000000  -0.000000   )
+ ( -0.249229   0.373737    -0.143893   0.215777     0.000000  -0.000000   )
+ (  0.044663  -0.413776     0.025786  -0.238893     0.000000   0.000000   )
+ (  0.438699  -0.096634     0.253283  -0.055792    -0.000000   0.000000   )
+     freq (    8) =      34.921436 [THz] =    1164.853726 [cm-1]
+ ( -0.310170  -0.271514    -0.179077  -0.156759    -0.000000  -0.000000   )
+ (  0.185525  -0.413104     0.107113  -0.238506     0.000000  -0.000000   )
+ ( -0.023856  -0.411529    -0.013773  -0.237597    -0.000000  -0.000000   )
+ (  0.418969  -0.171871     0.241892  -0.099230     0.000000   0.000000   )
+     freq (    9) =      42.325385 [THz] =    1411.822868 [cm-1]
+ ( -0.214164  -0.136846     0.370943   0.237025     0.000000   0.000000   )
+ (  0.188578   0.157624    -0.326627  -0.273013     0.000000   0.000000   )
+ (  0.185754   0.173460    -0.321736  -0.300441    -0.000000  -0.000000   )
+ (  0.245776  -0.001172    -0.425696   0.002030     0.000000  -0.000000   )
+     freq (   10) =      42.383660 [THz] =    1413.766721 [cm-1]
+ (  0.210481   0.142529    -0.364565  -0.246867     0.000000   0.000000   )
+ ( -0.184838  -0.161920     0.320149   0.280453     0.000000   0.000000   )
+ (  0.181698   0.177772    -0.314710  -0.307910     0.000000   0.000000   )
+ (  0.245670   0.005403    -0.425514  -0.009357    -0.000000   0.000000   )
+     freq (   11) =      44.438428 [THz] =    1482.306401 [cm-1]
+ (  0.429943  -0.141634     0.248228  -0.081772     0.000000  -0.000000   )
+ ( -0.240935  -0.334722    -0.139104  -0.193252    -0.000000   0.000000   )
+ (  0.355657   0.280035     0.205338   0.161678     0.000000   0.000000   )
+ (  0.139224  -0.388208     0.080381  -0.224132     0.000000   0.000000   )
+     freq (   12) =      44.544940 [THz] =    1485.859251 [cm-1]
+ (  0.425295  -0.145195     0.245544  -0.083828    -0.000000   0.000000   )
+ ( -0.243138  -0.337529    -0.140376  -0.194873     0.000000  -0.000000   )
+ ( -0.353429  -0.277572    -0.204052  -0.160256     0.000000   0.000000   )
+ ( -0.135857   0.393173    -0.078437   0.226998     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4250      0.2454      0.0000
+ **************************************************************************
+     freq (    1) =      13.449910 [THz] =     448.640702 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.267075   0.418515   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.072121   0.498312   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.187754   0.459600   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.503504   0.000000   )
+     freq (    2) =      14.014080 [THz] =     467.459393 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.261085  -0.409593   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.066418  -0.509565   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.190252   0.446919   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.513875   0.000000   )
+     freq (    3) =      18.831252 [THz] =     628.142940 [cm-1]
+ (  0.213296   0.122424    -0.369440  -0.212044    -0.000000   0.000000   )
+ (  0.207446   0.146571    -0.359307  -0.253869     0.000000  -0.000000   )
+ ( -0.239055   0.057756     0.414055  -0.100036     0.000000   0.000000   )
+ (  0.176536  -0.182626    -0.305769   0.316317     0.000000   0.000000   )
+     freq (    4) =      18.871348 [THz] =     629.480421 [cm-1]
+ ( -0.207324  -0.131776     0.359096   0.228242    -0.000000   0.000000   )
+ ( -0.200607  -0.156232     0.347462   0.270602     0.000000  -0.000000   )
+ ( -0.241218   0.046501     0.417801  -0.080543    -0.000000  -0.000000   )
+ (  0.184797  -0.174648    -0.320077   0.302499    -0.000000   0.000000   )
+     freq (    5) =      21.010543 [THz] =     700.836288 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.508012  -0.067817   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.413876  -0.256967   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.204866  -0.469792   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.487160   0.000000   )
+     freq (    6) =      21.201776 [THz] =     707.215135 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.500521  -0.066241   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.411674  -0.274983   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.186840   0.469042   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.495066   0.000000   )
+     freq (    7) =      36.271400 [THz] =    1209.883673 [cm-1]
+ ( -0.204861  -0.356025    -0.118277  -0.205551     0.000000   0.000000   )
+ (  0.338527  -0.302782     0.195449  -0.174812    -0.000000   0.000000   )
+ ( -0.151398   0.381838    -0.087410   0.220454     0.000000  -0.000000   )
+ ( -0.451240  -0.051583    -0.260523  -0.029781     0.000000   0.000000   )
+     freq (    8) =      36.397801 [THz] =    1214.099958 [cm-1]
+ (  0.215818   0.343850     0.124602   0.198522     0.000000   0.000000   )
+ ( -0.333211   0.314898    -0.192379   0.181806    -0.000000   0.000000   )
+ ( -0.139687   0.381179    -0.080648   0.220074     0.000000   0.000000   )
+ ( -0.457118  -0.035115    -0.263917  -0.020274    -0.000000   0.000000   )
+     freq (    9) =      42.184740 [THz] =    1407.131450 [cm-1]
+ ( -0.231726  -0.104278     0.401362   0.180615     0.000000  -0.000000   )
+ (  0.213463   0.121912    -0.369729  -0.211158     0.000000   0.000000   )
+ (  0.225028   0.118040    -0.389759  -0.204452    -0.000000  -0.000000   )
+ (  0.244953  -0.020671    -0.424270   0.035803     0.000000  -0.000000   )
+     freq (   10) =      42.241582 [THz] =    1409.027503 [cm-1]
+ (  0.229601   0.109002    -0.397680  -0.188796     0.000000  -0.000000   )
+ ( -0.211209  -0.125669     0.365825   0.217666     0.000000   0.000000   )
+ (  0.222924   0.122077    -0.386115  -0.211444     0.000000   0.000000   )
+ (  0.245270  -0.015650    -0.424820   0.027107    -0.000000   0.000000   )
+     freq (   11) =      43.540793 [THz] =    1452.364534 [cm-1]
+ (  0.412126  -0.199778     0.237941  -0.115342     0.000000  -0.000000   )
+ ( -0.249897  -0.320612    -0.144278  -0.185106    -0.000000   0.000000   )
+ (  0.327198   0.320470     0.188908   0.185023     0.000000   0.000000   )
+ (  0.200029  -0.353877     0.115487  -0.204311     0.000000   0.000000   )
+     freq (   12) =      43.638807 [THz] =    1455.633933 [cm-1]
+ (  0.406174  -0.204282     0.234505  -0.117942    -0.000000   0.000000   )
+ ( -0.251373  -0.324196    -0.145130  -0.187174     0.000000  -0.000000   )
+ ( -0.324608  -0.318337    -0.187412  -0.183792     0.000000   0.000000   )
+ ( -0.195939   0.360415    -0.113125   0.208086     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4500      0.2598      0.0000
+ **************************************************************************
+     freq (    1) =      14.301462 [THz] =     477.045413 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.353585   0.348917   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.094661   0.494241   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.302142   0.394304   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.503224   0.000000   )
+     freq (    2) =      14.802113 [THz] =     493.745347 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.341414  -0.337537   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.107628  -0.507859   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.299774   0.375007   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.519139   0.000000   )
+     freq (    3) =      18.999196 [THz] =     633.744956 [cm-1]
+ (  0.219295   0.111346    -0.379830  -0.192857    -0.000000   0.000000   )
+ (  0.218810   0.128973    -0.378990  -0.223388     0.000000  -0.000000   )
+ ( -0.215331   0.118831     0.372964  -0.205822     0.000000   0.000000   )
+ (  0.161594  -0.195957    -0.279889   0.339408     0.000000   0.000000   )
+     freq (    4) =      19.024880 [THz] =     634.601695 [cm-1]
+ (  0.221804   0.105801    -0.384175  -0.183253     0.000000  -0.000000   )
+ (  0.222021   0.123757    -0.384552  -0.214353    -0.000000   0.000000   )
+ (  0.212236  -0.123881    -0.367604   0.214568     0.000000   0.000000   )
+ ( -0.156819   0.200043     0.271618  -0.346484     0.000000   0.000000   )
+     freq (    5) =      20.338714 [THz] =     678.426469 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.498079  -0.139814   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.461134  -0.140446   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.328234  -0.399866   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.482048   0.000000   )
+     freq (    6) =      20.531602 [THz] =     684.860539 [cm-1]
+ ( -0.000000   0.000000     0.000000   0.000000     0.486575  -0.135476   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.465838  -0.166990   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.301992   0.404858   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.494864   0.000000   )
+     freq (    7) =      37.670505 [THz] =    1256.552785 [cm-1]
+ ( -0.222331  -0.332069    -0.128363  -0.191720     0.000000   0.000000   )
+ (  0.358046  -0.295130     0.206718  -0.170394    -0.000000   0.000000   )
+ ( -0.182816   0.355358    -0.105549   0.205166     0.000000  -0.000000   )
+ ( -0.448363  -0.119454    -0.258863  -0.068967     0.000000   0.000000   )
+     freq (    8) =      37.780232 [THz] =    1260.212901 [cm-1]
+ ( -0.225332  -0.322431    -0.130096  -0.186155    -0.000000  -0.000000   )
+ (  0.361962  -0.298743     0.208979  -0.172479     0.000000  -0.000000   )
+ (  0.180823  -0.349341     0.104398  -0.201692    -0.000000  -0.000000   )
+ (  0.455475   0.113165     0.262969   0.065336     0.000000   0.000000   )
+     freq (    9) =      42.092318 [THz] =    1404.048597 [cm-1]
+ ( -0.244249  -0.069940     0.423052   0.121139     0.000000  -0.000000   )
+ (  0.231560   0.082646    -0.401075  -0.143147     0.000000  -0.000000   )
+ (  0.244838   0.067850    -0.424072  -0.117519    -0.000000  -0.000000   )
+ (  0.244441  -0.026443    -0.423384   0.045800     0.000000  -0.000000   )
+     freq (   10) =      42.146993 [THz] =    1405.872370 [cm-1]
+ (  0.243181   0.073719    -0.421203  -0.127685     0.000000  -0.000000   )
+ ( -0.230355  -0.085819     0.398986   0.148643     0.000000   0.000000   )
+ (  0.243917   0.071249    -0.422476  -0.123407     0.000000   0.000000   )
+ (  0.244776  -0.022644    -0.423965   0.039221    -0.000000   0.000000   )
+     freq (   11) =      42.558285 [THz] =    1419.591582 [cm-1]
+ (  0.383071  -0.269164     0.221166  -0.155402     0.000000  -0.000000   )
+ ( -0.259397  -0.297524    -0.149763  -0.171776    -0.000000  -0.000000   )
+ (  0.282764   0.373145     0.163254   0.215435     0.000000   0.000000   )
+ (  0.258107  -0.298644     0.149018  -0.172422     0.000000   0.000000   )
+     freq (   12) =      42.653436 [THz] =    1422.765490 [cm-1]
+ (  0.375854  -0.274052     0.216999  -0.158224    -0.000000   0.000000   )
+ ( -0.258098  -0.303340    -0.149013  -0.175133     0.000000   0.000000   )
+ ( -0.278232  -0.372770    -0.160637  -0.215219     0.000000   0.000000   )
+ ( -0.253651   0.307068    -0.146446   0.177286     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4750      0.2742      0.0000
+ **************************************************************************
+     freq (    1) =      14.952588 [THz] =     498.764659 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.446151   0.221307   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.337615   0.371468   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.429771   0.251644   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.501969   0.000000   )
+     freq (    2) =      15.395579 [THz] =     513.541244 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.422682  -0.210339   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.362015  -0.382155   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.412554   0.229568   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.526400   0.000000   )
+     freq (    3) =      19.093775 [THz] =     636.899762 [cm-1]
+ ( -0.227727  -0.092870     0.394434   0.160855     0.000000  -0.000000   )
+ ( -0.232061  -0.103265     0.401941   0.178860    -0.000000   0.000000   )
+ (  0.163173  -0.184007    -0.282625   0.318709    -0.000000  -0.000000   )
+ ( -0.129920   0.218258     0.225028  -0.378035    -0.000000   0.000000   )
+     freq (    4) =      19.106073 [THz] =     637.310010 [cm-1]
+ ( -0.242997  -0.037203     0.420883   0.064438    -0.000000   0.000000   )
+ ( -0.249841  -0.046347     0.432737   0.080276     0.000000  -0.000000   )
+ ( -0.115738   0.216879     0.200464  -0.375645    -0.000000  -0.000000   )
+ (  0.075487  -0.242632    -0.130747   0.420250    -0.000000   0.000000   )
+     freq (    5) =      19.817019 [THz] =     661.024587 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.504152  -0.146533   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.473006  -0.024980   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.462569  -0.248336   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.473666   0.000000   )
+     freq (    6) =      19.992458 [THz] =     666.876622 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.483836  -0.139039   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.493676  -0.053435   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.430557   0.260863   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.496559   0.000000   )
+     freq (    7) =      38.964654 [THz] =    1299.720957 [cm-1]
+ (  0.228814   0.285922     0.132106   0.165077    -0.000000  -0.000000   )
+ ( -0.399281   0.285425    -0.230525   0.164790     0.000000   0.000000   )
+ (  0.235435  -0.280496     0.135929  -0.161944    -0.000000   0.000000   )
+ (  0.433765   0.229652     0.250435   0.132590    -0.000000   0.000000   )
+     freq (    8) =      39.052565 [THz] =    1302.653336 [cm-1]
+ (  0.229001   0.272171     0.132214   0.157138    -0.000000   0.000000   )
+ ( -0.411149   0.281847    -0.237377   0.162725    -0.000000  -0.000000   )
+ ( -0.237592   0.264705    -0.137174   0.152827     0.000000   0.000000   )
+ ( -0.443098  -0.228353    -0.255823  -0.131840    -0.000000   0.000000   )
+     freq (    9) =      41.511678 [THz] =    1384.680533 [cm-1]
+ ( -0.054245   0.492908    -0.031318   0.284580    -0.000000   0.000000   )
+ (  0.354986   0.055539     0.204951   0.032066     0.000000  -0.000000   )
+ ( -0.439871  -0.228940    -0.253960  -0.132179    -0.000000  -0.000000   )
+ ( -0.098336   0.345586    -0.056775   0.199524    -0.000000   0.000000   )
+     freq (   10) =      41.614191 [THz] =    1388.099986 [cm-1]
+ ( -0.085290   0.486003    -0.049242   0.280594     0.000000  -0.000000   )
+ (  0.348490   0.100406     0.201201   0.057969    -0.000000   0.000000   )
+ (  0.410959   0.273104     0.237267   0.157677    -0.000000  -0.000000   )
+ (  0.114999  -0.343950     0.066395  -0.198580    -0.000000   0.000000   )
+     freq (   11) =      42.040789 [THz] =    1402.329790 [cm-1]
+ (  0.251609   0.035032    -0.435799  -0.060677    -0.000000  -0.000000   )
+ ( -0.242344  -0.041656     0.419752   0.072150    -0.000000  -0.000000   )
+ ( -0.252339  -0.029312     0.437064   0.050769     0.000000   0.000000   )
+ ( -0.245237   0.018013     0.424764  -0.031199    -0.000000   0.000000   )
+     freq (   12) =      42.093390 [THz] =    1404.084371 [cm-1]
+ (  0.251345   0.037095    -0.435342  -0.064251     0.000000  -0.000000   )
+ ( -0.241998  -0.043438     0.419152   0.075237     0.000000   0.000000   )
+ (  0.252146   0.031185    -0.436730  -0.054013     0.000000   0.000000   )
+ (  0.245345  -0.015996    -0.424949   0.027706    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.5000      0.2887      0.0000
+ **************************************************************************
+     freq (    1) =      15.212541 [THz] =     507.435735 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499288   0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500711   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499288   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.500711   0.000000   )
+     freq (    2) =      15.626448 [THz] =     521.242190 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.466984  -0.000000   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.530967  -0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.466984   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.530967   0.000000   )
+     freq (    3) =      19.127516 [THz] =     638.025269 [cm-1]
+ ( -0.245909   0.000000     0.425927  -0.000000     0.000000  -0.000000   )
+ ( -0.254025   0.000000     0.439984  -0.000000    -0.000000   0.000000   )
+ (  0.245909  -0.000000    -0.425927   0.000000    -0.000000  -0.000000   )
+ ( -0.254025   0.000000     0.439984  -0.000000    -0.000000   0.000000   )
+     freq (    4) =      19.127868 [THz] =     638.036994 [cm-1]
+ ( -0.245882  -0.000000     0.425880   0.000000    -0.000000  -0.000000   )
+ ( -0.254051  -0.000000     0.440029   0.000000     0.000000   0.000000   )
+ ( -0.245882  -0.000000     0.425880   0.000000    -0.000000   0.000000   )
+ (  0.254051   0.000000    -0.440029  -0.000000    -0.000000   0.000000   )
+     freq (    5) =      19.612430 [THz] =     654.200260 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.530967  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.466984   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.530967  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.466984   0.000000   )
+     freq (    6) =      19.768355 [THz] =     659.401345 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.500711  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.499288  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.500711   0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.499288   0.000000   )
+     freq (    7) =      39.888270 [THz] =    1330.529469 [cm-1]
+ ( -0.166292  -0.000000    -0.096009  -0.000000    -0.000000   0.000000   )
+ (  0.589362   0.000000     0.340268   0.000000    -0.000000  -0.000000   )
+ ( -0.166292  -0.000000    -0.096009  -0.000000    -0.000000   0.000000   )
+ ( -0.589362  -0.000000    -0.340268  -0.000000     0.000000   0.000000   )
+     freq (    8) =      39.890878 [THz] =    1330.616449 [cm-1]
+ (  0.114267  -0.000000     0.065972  -0.000000    -0.000000  -0.000000   )
+ ( -0.601617   0.000000    -0.347344   0.000000    -0.000000   0.000000   )
+ ( -0.114267   0.000000    -0.065972   0.000000     0.000000   0.000000   )
+ ( -0.601617   0.000000    -0.347344   0.000000    -0.000000   0.000000   )
+     freq (    9) =      40.696213 [THz] =    1357.479545 [cm-1]
+ ( -0.601617   0.000000    -0.347344   0.000000     0.000000  -0.000000   )
+ ( -0.114267   0.000000    -0.065972   0.000000     0.000000  -0.000000   )
+ (  0.601617  -0.000000     0.347344  -0.000000    -0.000000   0.000000   )
+ ( -0.114267   0.000000    -0.065972   0.000000     0.000000   0.000000   )
+     freq (   10) =      40.826618 [THz] =    1361.829397 [cm-1]
+ (  0.589362   0.000000     0.340268   0.000000     0.000000   0.000000   )
+ (  0.166292   0.000000     0.096009   0.000000     0.000000  -0.000000   )
+ (  0.589362   0.000000     0.340268   0.000000     0.000000   0.000000   )
+ ( -0.166292  -0.000000    -0.096009  -0.000000    -0.000000   0.000000   )
+     freq (   11) =      42.024351 [THz] =    1401.781450 [cm-1]
+ (  0.254025  -0.000000    -0.439984   0.000000    -0.000000   0.000000   )
+ ( -0.245909   0.000000     0.425927  -0.000000    -0.000000   0.000000   )
+ ( -0.254025   0.000000     0.439984  -0.000000     0.000000  -0.000000   )
+ ( -0.245909   0.000000     0.425927  -0.000000    -0.000000   0.000000   )
+     freq (   12) =      42.076082 [THz] =    1403.507024 [cm-1]
+ ( -0.254051  -0.000000     0.440029   0.000000    -0.000000  -0.000000   )
+ (  0.245882   0.000000    -0.425880  -0.000000    -0.000000  -0.000000   )
+ ( -0.254051  -0.000000     0.440029   0.000000    -0.000000  -0.000000   )
+ ( -0.245882  -0.000000     0.425880   0.000000     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4917      0.3031      0.0000
+ **************************************************************************
+     freq (    1) =      15.209694 [THz] =     507.340777 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.499301   0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500012   0.026204   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499301   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500698   0.000000   )
+     freq (    2) =      15.623237 [THz] =     521.135079 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.467013   0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.530214   0.027787   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.467013  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530942   0.000000   )
+     freq (    3) =      19.187706 [THz] =     640.032967 [cm-1]
+ ( -0.140884  -0.201518     0.238587   0.352744     0.000000  -0.000000   )
+ ( -0.129578  -0.218546     0.229952   0.375179    -0.000000   0.000000   )
+ ( -0.136187  -0.204722     0.241314   0.350884    -0.000000  -0.000000   )
+ (  0.145464   0.208310    -0.246617  -0.364441    -0.000000   0.000000   )
+     freq (    4) =      19.188443 [THz] =     640.057570 [cm-1]
+ (  0.194201   0.150859    -0.332213  -0.266514    -0.000000  -0.000000   )
+ (  0.188401   0.170420    -0.330512  -0.290441     0.000000   0.000000   )
+ ( -0.190610  -0.155372     0.334298   0.263894     0.000000   0.000000   )
+ (  0.200478   0.156034    -0.343299  -0.275209     0.000000   0.000000   )
+     freq (    5) =      19.608296 [THz] =     654.062359 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.530942  -0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.466373  -0.024442   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.530942  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.467013   0.000000   )
+     freq (    6) =      19.763991 [THz] =     659.255775 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.500698  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.498617  -0.026131   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.500698   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499301   0.000000   )
+     freq (    7) =      39.869381 [THz] =    1329.899385 [cm-1]
+ ( -0.168498  -0.004202    -0.097319  -0.000585    -0.000000   0.000000   )
+ (  0.586882   0.046197     0.339427   0.018550    -0.000000  -0.000000   )
+ ( -0.168530  -0.002608    -0.097264  -0.003347    -0.000000  -0.000000   )
+ ( -0.588638  -0.008366    -0.339686  -0.012972     0.000000   0.000000   )
+     freq (    8) =      39.872790 [THz] =    1330.013104 [cm-1]
+ (  0.117656   0.004357     0.068019  -0.001592    -0.000000   0.000000   )
+ ( -0.598915  -0.048936    -0.346532  -0.018199    -0.000000  -0.000000   )
+ ( -0.117734  -0.000799    -0.067884  -0.004569     0.000000   0.000000   )
+ ( -0.600846  -0.008794    -0.346678  -0.015157    -0.000000   0.000000   )
+     freq (    9) =      40.681134 [THz] =    1356.976549 [cm-1]
+ ( -0.600605   0.017429    -0.347035  -0.005295     0.000000  -0.000000   )
+ ( -0.117320  -0.008666    -0.068102   0.005668     0.000000   0.000000   )
+ (  0.600843  -0.004129     0.346621  -0.017741    -0.000000  -0.000000   )
+ ( -0.117447   0.006732    -0.068000  -0.006789     0.000000   0.000000   )
+     freq (   10) =      40.811629 [THz] =    1361.329416 [cm-1]
+ ( -0.588264   0.022220    -0.339957   0.001989    -0.000000   0.000000   )
+ ( -0.168361  -0.006724    -0.097356   0.002860    -0.000000   0.000000   )
+ ( -0.588543   0.012833    -0.339473   0.018248    -0.000000  -0.000000   )
+ (  0.168309  -0.007935     0.097374   0.002160     0.000000   0.000000   )
+     freq (   11) =      42.012287 [THz] =    1401.379061 [cm-1]
+ (  0.253010  -0.023584    -0.439328   0.023428    -0.000000   0.000000   )
+ ( -0.245931  -0.004950     0.425774  -0.009010    -0.000000   0.000000   )
+ ( -0.253965   0.008498     0.438777  -0.032138     0.000000   0.000000   )
+ ( -0.244891   0.023126     0.425274  -0.022507    -0.000000   0.000000   )
+     freq (   12) =      42.064404 [THz] =    1403.117493 [cm-1]
+ ( -0.252667   0.028463     0.439437  -0.021291    -0.000000   0.000000   )
+ (  0.245896   0.007044    -0.425627   0.010879    -0.000000   0.000000   )
+ ( -0.254230   0.004207     0.438534  -0.035295    -0.000000  -0.000000   )
+ ( -0.244642   0.025782     0.425217  -0.021623     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4833      0.3175      0.0000
+ **************************************************************************
+     freq (    1) =      15.201485 [THz] =     507.066964 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.499341   0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.497916   0.052333   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499341   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500658   0.000000   )
+     freq (    2) =      15.613912 [THz] =     520.824041 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467096   0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.527960   0.055491   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.467096  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530868   0.000000   )
+     freq (    3) =      19.365491 [THz] =     645.963242 [cm-1]
+ ( -0.077069  -0.233491     0.120725   0.408300     0.000000  -0.000000   )
+ ( -0.042563  -0.250548     0.086587   0.431480    -0.000000   0.000000   )
+ ( -0.066020  -0.236852     0.127112   0.406358    -0.000000   0.000000   )
+ (  0.079378   0.241423    -0.124952  -0.421971    -0.000000   0.000000   )
+     freq (    4) =      19.369391 [THz] =     646.093324 [cm-1]
+ ( -0.158235  -0.188251     0.263512   0.334515    -0.000000   0.000000   )
+ ( -0.132501  -0.216819     0.240310   0.368604     0.000000  -0.000000   )
+ (  0.149093   0.195572    -0.268795  -0.330285    -0.000000  -0.000000   )
+ ( -0.163125  -0.194825     0.272513   0.345477    -0.000000   0.000000   )
+     freq (    5) =      19.595804 [THz] =     653.645677 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.530868  -0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.464538  -0.048825   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.530868  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.467096   0.000000   )
+     freq (    6) =      19.750773 [THz] =     658.814875 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.500658  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.496605  -0.052195   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.500658   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499341   0.000000   )
+     freq (    7) =      39.812783 [THz] =    1328.011506 [cm-1]
+ ( -0.174996  -0.007846    -0.101162  -0.000981    -0.000000   0.000000   )
+ (  0.579851   0.089342     0.337082   0.035310    -0.000000  -0.000000   )
+ ( -0.175107  -0.004772    -0.100970  -0.006304    -0.000000  -0.000000   )
+ ( -0.586526  -0.014017    -0.338039  -0.024516     0.000000   0.000000   )
+     freq (    8) =      39.818419 [THz] =    1328.199496 [cm-1]
+ ( -0.127612  -0.008367    -0.073982   0.003030     0.000000  -0.000000   )
+ (  0.591255   0.094276     0.344242   0.034498     0.000000   0.000000   )
+ (  0.127876   0.001559     0.073524   0.008761     0.000000  -0.000000   )
+ (  0.598547   0.014528     0.344790   0.028512     0.000000   0.000000   )
+     freq (    9) =      40.636332 [THz] =    1355.482119 [cm-1]
+ ( -0.597553   0.033592    -0.346047  -0.011917     0.000000  -0.000000   )
+ ( -0.126123  -0.018560    -0.074385   0.011252     0.000000   0.000000   )
+ (  0.598462  -0.006475     0.344473  -0.035050    -0.000000  -0.000000   )
+ ( -0.126734   0.013788    -0.073907  -0.014051     0.000000   0.000000   )
+     freq (   10) =      40.766995 [THz] =    1359.840571 [cm-1]
+ (  0.585153  -0.041553     0.339057  -0.001584     0.000000  -0.000000   )
+ (  0.174300   0.014970     0.101350  -0.005591     0.000000  -0.000000   )
+ (  0.586208  -0.022148     0.337229  -0.035194     0.000000   0.000000   )
+ ( -0.174240   0.015656    -0.101371  -0.005192    -0.000000   0.000000   )
+     freq (   11) =      41.976387 [THz] =    1400.181560 [cm-1]
+ ( -0.249944   0.047284     0.437445  -0.045891     0.000000  -0.000000   )
+ (  0.245982   0.010606    -0.425316   0.017718     0.000000  -0.000000   )
+ (  0.253867  -0.016101    -0.435180   0.063895    -0.000000  -0.000000   )
+ (  0.241841  -0.046180    -0.423387   0.044172     0.000000   0.000000   )
+     freq (   12) =      42.029679 [THz] =    1401.959175 [cm-1]
+ ( -0.248635   0.056300     0.437795  -0.040973    -0.000000   0.000000   )
+ (  0.245891   0.015169    -0.424909   0.020668    -0.000000   0.000000   )
+ ( -0.254824   0.007333     0.434222  -0.069244    -0.000000  -0.000000   )
+ ( -0.241031   0.050957     0.423365  -0.041679     0.000000  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4750      0.3320      0.0000
+ **************************************************************************
+     freq (    1) =      15.188901 [THz] =     506.647186 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499404   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.494432   0.078310   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499404   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500595   0.000000   )
+     freq (    2) =      15.599392 [THz] =     520.339715 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467223   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.524222   0.083029   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.467223  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530756   0.000000   )
+     freq (    3) =      19.574690 [THz] =     652.941367 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.530756  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.461471  -0.073090   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.530756  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.467223   0.000000   )
+     freq (    4) =      19.656201 [THz] =     655.660291 [cm-1]
+ (  0.082927  -0.231479    -0.162667   0.393329    -0.000000  -0.000000   )
+ (  0.137520  -0.213850    -0.220892   0.380703     0.000000   0.000000   )
+ (  0.099409  -0.224894    -0.153147   0.397133     0.000000   0.000000   )
+ ( -0.086178   0.239201     0.167964  -0.406837     0.000000   0.000000   )
+     freq (    5) =      19.665036 [THz] =     655.955007 [cm-1]
+ (  0.045301  -0.241731    -0.098727   0.414120    -0.000000  -0.000000   )
+ (  0.101930  -0.232867    -0.158183   0.410650     0.000000   0.000000   )
+ ( -0.062848   0.237773     0.088592  -0.416406    -0.000000   0.000000   )
+ (  0.047545  -0.249712    -0.101634   0.428165    -0.000000   0.000000   )
+     freq (    6) =      19.728329 [THz] =     658.066227 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.500595  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.493256  -0.078124   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.500595   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499404   0.000000   )
+     freq (    7) =      39.718718 [THz] =    1324.873824 [cm-1]
+ ( -0.185402  -0.010600    -0.107268  -0.001155     0.000000   0.000000   )
+ (  0.569119   0.127958     0.333611   0.049392    -0.000000  -0.000000   )
+ ( -0.185598  -0.006300    -0.106929  -0.008603     0.000000  -0.000000   )
+ ( -0.583115  -0.015727    -0.335524  -0.034050     0.000000   0.000000   )
+     freq (    8) =      39.727509 [THz] =    1325.167050 [cm-1]
+ ( -0.143449  -0.011722    -0.083352   0.004134    -0.000000  -0.000000   )
+ (  0.579539   0.134292     0.340754   0.048036     0.000000   0.000000   )
+ (  0.143909   0.002280     0.082555   0.012218     0.000000  -0.000000   )
+ (  0.594682   0.015913     0.341873   0.039285     0.000000   0.000000   )
+     freq (    9) =      40.563043 [THz] =    1353.037462 [cm-1]
+ (  0.592383  -0.048093     0.344226   0.020654    -0.000000   0.000000   )
+ (  0.139621   0.030718     0.084463  -0.016707    -0.000000  -0.000000   )
+ ( -0.594300   0.006159    -0.340906   0.051976     0.000000   0.000000   )
+ (  0.141337  -0.021484     0.083184   0.022217    -0.000000   0.000000   )
+     freq (   10) =      40.693667 [THz] =    1357.394618 [cm-1]
+ (  0.580359  -0.056837     0.337598   0.002591     0.000000  -0.000000   )
+ (  0.183326   0.025875     0.107836  -0.008222     0.000000   0.000000   )
+ (  0.582548  -0.026174     0.333807  -0.050518     0.000000   0.000000   )
+ ( -0.183683   0.023203    -0.107705  -0.009791    -0.000000   0.000000   )
+     freq (   11) =      41.917527 [THz] =    1398.218206 [cm-1]
+ ( -0.244829   0.070989     0.434624  -0.066128     0.000000  -0.000000   )
+ (  0.246001   0.017859    -0.424574   0.025493     0.000000  -0.000000   )
+ (  0.253981  -0.021774    -0.429340   0.094543    -0.000000  -0.000000   )
+ (  0.236828  -0.068904    -0.420519   0.063850     0.000000   0.000000   )
+     freq (   12) =      41.972830 [THz] =    1400.062894 [cm-1]
+ ( -0.242250   0.083123     0.435434  -0.057839    -0.000000   0.000000   )
+ (  0.245727   0.025241    -0.423814   0.028630    -0.000000   0.000000   )
+ ( -0.255972   0.008529     0.427512  -0.100906    -0.000000  -0.000000   )
+ ( -0.235311   0.075151     0.420664  -0.058988     0.000000  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4667      0.3464      0.0000
+ **************************************************************************
+     freq (    1) =      15.173555 [THz] =     506.135306 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499487   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.489575   0.104062   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499487   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500512   0.000000   )
+     freq (    2) =      15.581184 [THz] =     519.732344 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467376   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.519027   0.110323   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467376  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530622   0.000000   )
+     freq (    3) =      19.544519 [THz] =     651.934979 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.530622   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.457162   0.097173   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530622   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.467376   0.000000   )
+     freq (    4) =      19.696054 [THz] =     656.989641 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500512  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.488572  -0.103849   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.500512   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.499487   0.000000   )
+     freq (    5) =      20.051968 [THz] =     668.861654 [cm-1]
+ (  0.110381   0.219734    -0.165331  -0.392004     0.000000  -0.000000   )
+ (  0.040284   0.251210    -0.096957  -0.429420    -0.000000   0.000000   )
+ (  0.087992   0.229618    -0.178261  -0.386296    -0.000000   0.000000   )
+ ( -0.113637  -0.227631     0.171419   0.405484    -0.000000   0.000000   )
+     freq (    6) =      20.067061 [THz] =     669.365092 [cm-1]
+ (  0.065226   0.237169    -0.085034  -0.416977    -0.000000   0.000000   )
+ ( -0.009654   0.254163    -0.010587  -0.439991     0.000000  -0.000000   )
+ ( -0.041030  -0.242528     0.099007   0.413882    -0.000000   0.000000   )
+ (  0.066493   0.245501    -0.088506  -0.431127    -0.000000   0.000000   )
+     freq (    7) =      39.587669 [THz] =    1320.502505 [cm-1]
+ ( -0.199037  -0.012401    -0.115206  -0.001270     0.000000   0.000000   )
+ (  0.555390   0.162259     0.329336   0.060897    -0.000000  -0.000000   )
+ ( -0.199290  -0.007300    -0.114769  -0.010105     0.000000  -0.000000   )
+ ( -0.578440  -0.013906    -0.332287  -0.041901     0.000000   0.000000   )
+     freq (    8) =      39.599841 [THz] =    1320.908499 [cm-1]
+ (  0.163950   0.014154     0.095329  -0.004708     0.000000   0.000000   )
+ ( -0.564507  -0.169083    -0.336268  -0.058964    -0.000000  -0.000000   )
+ ( -0.164533  -0.002999    -0.094320  -0.014611    -0.000000   0.000000   )
+ ( -0.589133  -0.013411    -0.338049  -0.047706    -0.000000   0.000000   )
+     freq (    9) =      40.463087 [THz] =    1349.703294 [cm-1]
+ ( -0.584988   0.060954    -0.341392  -0.031956     0.000000  -0.000000   )
+ ( -0.156093  -0.045927    -0.097706   0.021982     0.000000   0.000000   )
+ (  0.588148  -0.002803     0.335918  -0.068766    -0.000000  -0.000000   )
+ ( -0.159924   0.029978    -0.094996  -0.031707     0.000000   0.000000   )
+     freq (   10) =      40.593086 [THz] =    1354.039594 [cm-1]
+ (  0.574027  -0.069006     0.335548   0.010634     0.000000  -0.000000   )
+ (  0.194244   0.039949     0.116524  -0.011016     0.000000   0.000000   )
+ (  0.577606  -0.025294     0.329348  -0.065078     0.000000   0.000000   )
+ ( -0.195876   0.030967    -0.115893  -0.016367    -0.000000   0.000000   )
+     freq (   11) =      41.837192 [THz] =    1395.538521 [cm-1]
+ ( -0.237558   0.094994     0.431160  -0.083791     0.000000  -0.000000   )
+ (  0.245888   0.027098    -0.423520   0.032518     0.000000  -0.000000   )
+ (  0.254617  -0.025068    -0.421312   0.124163    -0.000000  -0.000000   )
+ (  0.229834  -0.091496    -0.416923   0.081250     0.000000  -0.000000   )
+     freq (   12) =      41.895395 [THz] =    1397.479937 [cm-1]
+ (  0.234260  -0.107930    -0.432992   0.069546     0.000000  -0.000000   )
+ ( -0.245023  -0.038768     0.422535  -0.032859     0.000000  -0.000000   )
+ (  0.257852  -0.006264    -0.419371   0.128243     0.000000   0.000000   )
+ (  0.228148  -0.097405    -0.417774   0.071273    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4583      0.3608      0.0000
+ **************************************************************************
+     freq (    1) =      15.157648 [THz] =     505.604705 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499586   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.483363   0.129517   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499586   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500414   0.000000   )
+     freq (    2) =      15.561343 [THz] =     519.070515 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467528   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.512412   0.137300   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467528  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530488   0.000000   )
+     freq (    3) =      19.504704 [THz] =     650.606899 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000     0.530488  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.451598  -0.121005   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.530488  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.467528   0.000000   )
+     freq (    4) =      19.653131 [THz] =     655.557892 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500414  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.482563  -0.129302   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.500414   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.499586   0.000000   )
+     freq (    5) =      20.542714 [THz] =     685.231180 [cm-1]
+ (  0.096275   0.226312    -0.131953  -0.404185     0.000000  -0.000000   )
+ (  0.003504   0.254629    -0.042219  -0.438299    -0.000000   0.000000   )
+ (  0.066139   0.236879    -0.149355  -0.398084    -0.000000   0.000000   )
+ ( -0.098916  -0.234657     0.137117   0.418434    -0.000000   0.000000   )
+     freq (    6) =      20.564841 [THz] =     685.969250 [cm-1]
+ ( -0.073033  -0.234948     0.090226   0.415652     0.000000  -0.000000   )
+ (  0.022099  -0.253596    -0.002565   0.440173    -0.000000   0.000000   )
+ (  0.041623   0.242491    -0.108363  -0.411296     0.000000  -0.000000   )
+ ( -0.074373  -0.243450     0.094082   0.430009     0.000000   0.000000   )
+     freq (    7) =      39.420484 [THz] =    1314.925820 [cm-1]
+ ( -0.214981  -0.013234    -0.124419  -0.001559     0.000000   0.000000   )
+ (  0.539120   0.192983     0.324496   0.070250    -0.000000  -0.000000   )
+ ( -0.215240  -0.007967    -0.123969  -0.010681     0.000000  -0.000000   )
+ ( -0.572541  -0.009467    -0.328428  -0.048657     0.000000   0.000000   )
+     freq (    8) =      39.435523 [THz] =    1315.427447 [cm-1]
+ ( -0.187432  -0.015534    -0.108910   0.004511    -0.000000  -0.000000   )
+ (  0.546549   0.199787     0.330895   0.067999     0.000000   0.000000   )
+ (  0.188035   0.003861     0.107866   0.015708     0.000000  -0.000000   )
+ (  0.581858   0.008475     0.333368   0.054599     0.000000   0.000000   )
+     freq (    9) =      40.338550 [THz] =    1345.549193 [cm-1]
+ (  0.575244  -0.073299     0.337480   0.045492    -0.000000   0.000000   )
+ (  0.173402   0.064305     0.113208  -0.027205    -0.000000  -0.000000   )
+ ( -0.579888  -0.002748    -0.329435   0.086225     0.000000   0.000000   )
+ (  0.180671  -0.039515     0.108313   0.042715    -0.000000   0.000000   )
+     freq (   10) =      40.466983 [THz] =    1349.833255 [cm-1]
+ (  0.566251  -0.078702     0.332818   0.022687     0.000000  -0.000000   )
+ (  0.205498   0.057589     0.127041  -0.014098     0.000000   0.000000   )
+ (  0.571354  -0.019703     0.323978  -0.079501     0.000000   0.000000   )
+ ( -0.209812   0.039048    -0.125279  -0.025362    -0.000000   0.000000   )
+     freq (   11) =      41.737498 [THz] =    1392.213083 [cm-1]
+ ( -0.229069   0.117335     0.428222  -0.094622    -0.000000  -0.000000   )
+ (  0.245122   0.040955    -0.422426   0.035024     0.000000  -0.000000   )
+ (  0.256317  -0.023278    -0.412491   0.148926    -0.000000  -0.000000   )
+ (  0.221831  -0.112041    -0.413712   0.092265     0.000000   0.000000   )
+     freq (   12) =      41.799513 [THz] =    1394.281682 [cm-1]
+ ( -0.224506   0.132141     0.430421  -0.078206     0.000000   0.000000   )
+ (  0.243567   0.054704    -0.420908   0.035724    -0.000000   0.000000   )
+ ( -0.260502   0.001658     0.409638  -0.153541    -0.000000  -0.000000   )
+ ( -0.219376   0.119128     0.414669  -0.080557     0.000000  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4500      0.3753      0.0000
+ **************************************************************************
+     freq (    1) =      15.143902 [THz] =     505.146188 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499694   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.475820   0.154603   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499694   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500306   0.000000   )
+     freq (    2) =      15.542421 [THz] =     518.439345 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467650   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.504422   0.163897   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467650  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530380   0.000000   )
+     freq (    3) =      19.454520 [THz] =     648.932935 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.530380   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.444762   0.144512   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530380   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.467650   0.000000   )
+     freq (    4) =      19.598563 [THz] =     653.737700 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500306  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.475237  -0.154414   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.500306   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.499694   0.000000   )
+     freq (    5) =      21.116853 [THz] =     704.382403 [cm-1]
+ ( -0.099837  -0.224849     0.128906   0.404809    -0.000000   0.000000   )
+ (  0.014373  -0.254565     0.020955   0.439931     0.000000  -0.000000   )
+ ( -0.061718  -0.238150     0.150916   0.397129     0.000000  -0.000000   )
+ (  0.102496   0.233462    -0.134227  -0.419478     0.000000   0.000000   )
+     freq (    6) =      21.146214 [THz] =     705.361766 [cm-1]
+ ( -0.073899  -0.234790     0.082047   0.417038     0.000000  -0.000000   )
+ (  0.042923  -0.251206    -0.029240   0.439271    -0.000000   0.000000   )
+ (  0.034107   0.243770    -0.105023  -0.411852     0.000000  -0.000000   )
+ ( -0.075071  -0.243538     0.085842   0.431793     0.000000   0.000000   )
+     freq (    7) =      39.218514 [THz] =    1308.188826 [cm-1]
+ ( -0.232180  -0.013184    -0.134296  -0.002343     0.000000   0.000000   )
+ (  0.520540   0.221114     0.319272   0.078039    -0.000000  -0.000000   )
+ ( -0.232394  -0.008621    -0.133925  -0.010246     0.000000  -0.000000   )
+ ( -0.565545  -0.003551    -0.324031  -0.055034     0.000000   0.000000   )
+     freq (    8) =      39.235308 [THz] =    1308.748986 [cm-1]
+ (  0.212014   0.015768     0.123015  -0.003359     0.000000   0.000000   )
+ ( -0.526055  -0.227340    -0.324829  -0.075671    -0.000000  -0.000000   )
+ ( -0.212541  -0.004975    -0.122102  -0.015335    -0.000000   0.000000   )
+ ( -0.573073  -0.002222    -0.327962  -0.060670    -0.000000   0.000000   )
+     freq (    9) =      40.191442 [THz] =    1340.642182 [cm-1]
+ ( -0.563370   0.084830    -0.332475  -0.061581     0.000000  -0.000000   )
+ ( -0.189137  -0.085831    -0.130012   0.032298     0.000000   0.000000   )
+ (  0.569617   0.010916     0.321656  -0.104256    -0.000000   0.000000   )
+ ( -0.201641   0.049804    -0.121916  -0.055524     0.000000   0.000000   )
+     freq (   10) =      40.317158 [THz] =    1344.835648 [cm-1]
+ (  0.556969  -0.087535     0.329343   0.038144     0.000000  -0.000000   )
+ (  0.215467   0.078454     0.138943  -0.017756     0.000000   0.000000   )
+ (  0.563704  -0.010734     0.317678  -0.094880     0.000000   0.000000   )
+ ( -0.224270   0.047792    -0.135135  -0.036867    -0.000000   0.000000   )
+     freq (   11) =      41.621204 [THz] =    1388.333919 [cm-1]
+ (  0.219356  -0.139060    -0.425897   0.099987     0.000000   0.000000   )
+ ( -0.243229  -0.058810     0.421119  -0.034635    -0.000000   0.000000   )
+ ( -0.259160   0.017061     0.402916  -0.170423     0.000000   0.000000   )
+ ( -0.212832   0.131611     0.410974  -0.098191    -0.000000   0.000000   )
+     freq (   12) =      41.687897 [THz] =    1390.558556 [cm-1]
+ ( -0.214310   0.154162     0.428450  -0.080426     0.000000   0.000000   )
+ (  0.240427   0.075017    -0.419130   0.034138    -0.000000   0.000000   )
+ ( -0.263893  -0.007430     0.399823  -0.173721    -0.000000  -0.000000   )
+ ( -0.210155   0.138808     0.412134  -0.083549     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4417      0.3897      0.0000
+ **************************************************************************
+     freq (    1) =      15.135479 [THz] =     504.865238 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499804   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.466973   0.179254   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499804   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500196   0.000000   )
+     freq (    2) =      15.527393 [THz] =     517.938080 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467704   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.495108   0.190054   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467704  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530333   0.000000   )
+     freq (    3) =      19.393126 [THz] =     646.885059 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.530333   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.436639   0.167610   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530333   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.467704   0.000000   )
+     freq (    4) =      19.531207 [THz] =     651.490925 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500196  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.466607  -0.179114   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.500196   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.499804   0.000000   )
+     freq (    5) =      21.761941 [THz] =     725.900228 [cm-1]
+ (  0.095042   0.227075    -0.109281  -0.410090     0.000000  -0.000000   )
+ ( -0.042881   0.251770     0.017486  -0.440176    -0.000000   0.000000   )
+ (  0.047120   0.241611    -0.136951  -0.401697    -0.000000   0.000000   )
+ ( -0.097378  -0.236103     0.114180   0.425469    -0.000000   0.000000   )
+     freq (    6) =      21.798180 [THz] =     727.109015 [cm-1]
+ ( -0.081621  -0.232406     0.084618   0.416125     0.000000  -0.000000   )
+ (  0.057527  -0.248675    -0.043748   0.438113    -0.000000   0.000000   )
+ (  0.032472   0.244172    -0.112996  -0.409331     0.000000  -0.000000   )
+ ( -0.082895  -0.241406     0.088750   0.431254     0.000000   0.000000   )
+     freq (    7) =      38.983750 [THz] =    1300.357932 [cm-1]
+ ( -0.249598  -0.012318    -0.144245  -0.003933     0.000000   0.000000   )
+ (  0.499843   0.247375     0.313876   0.084683    -0.000000  -0.000000   )
+ ( -0.249719  -0.009565    -0.144036  -0.008701     0.000000  -0.000000   )
+ ( -0.557699   0.003038    -0.319212  -0.061587     0.000000   0.000000   )
+     freq (    8) =      39.000849 [THz] =    1300.928295 [cm-1]
+ (  0.235959   0.014826     0.136667  -0.001127     0.000000   0.000000   )
+ ( -0.503517  -0.252468    -0.318408  -0.082287    -0.000000  -0.000000   )
+ ( -0.236337  -0.006437    -0.136013  -0.013403    -0.000000   0.000000   )
+ ( -0.563247   0.004663    -0.322076  -0.066495    -0.000000   0.000000   )
+     freq (    9) =      40.023440 [THz] =    1335.038268 [cm-1]
+ ( -0.549797   0.095553    -0.326456  -0.080174     0.000000  -0.000000   )
+ ( -0.201108  -0.109939    -0.147235   0.037184     0.000000   0.000000   )
+ (  0.557618   0.021657     0.312910  -0.122838    -0.000000   0.000000   )
+ ( -0.221074   0.060476    -0.134652  -0.070210     0.000000   0.000000   )
+     freq (   10) =      40.145286 [THz] =    1339.102599 [cm-1]
+ (  0.546267  -0.096042     0.325061   0.056792     0.000000  -0.000000   )
+ (  0.222540   0.102092     0.151812  -0.022016     0.000000   0.000000   )
+ (  0.554644   0.001163     0.310551  -0.111571     0.000000  -0.000000   )
+ ( -0.238080   0.057136    -0.144690  -0.050954    -0.000000   0.000000   )
+     freq (   11) =      41.491690 [THz] =    1384.013811 [cm-1]
+ (  0.208946  -0.159952    -0.424406   0.099236     0.000000   0.000000   )
+ ( -0.239371  -0.081044     0.419486  -0.030890    -0.000000   0.000000   )
+ ( -0.263073   0.005965     0.393155  -0.188141     0.000000   0.000000   )
+ ( -0.203311   0.150104     0.408962  -0.098350    -0.000000   0.000000   )
+     freq (   12) =      41.563763 [THz] =    1386.417897 [cm-1]
+ ( -0.204293   0.174256     0.427053  -0.076344     0.000000   0.000000   )
+ (  0.234679   0.099490    -0.417036   0.028364    -0.000000   0.000000   )
+ ( -0.267693  -0.021012     0.390449  -0.189083    -0.000000  -0.000000   )
+ ( -0.201000   0.156752     0.410202  -0.080363     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4333      0.4041      0.0000
+ **************************************************************************
+     freq (    1) =      15.135880 [THz] =     504.878597 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499911   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.456854   0.203405   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499911   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.500089   0.000000   )
+     freq (    2) =      15.519569 [THz] =     517.677085 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467645   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.484531   0.215727   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467645  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530385   0.000000   )
+     freq (    3) =      19.319593 [THz] =     644.432257 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.530385   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.427215   0.190208   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.530385   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.467645   0.000000   )
+     freq (    4) =      19.449812 [THz] =     648.775907 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500089  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.456691  -0.203332   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.500089   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.499911   0.000000   )
+     freq (    5) =      22.465192 [THz] =     749.358135 [cm-1]
+ (  0.090561   0.229169    -0.088179  -0.414572     0.000000  -0.000000   )
+ ( -0.072207   0.245572     0.056154  -0.436992    -0.000000   0.000000   )
+ (  0.031086   0.244445    -0.122519  -0.405752    -0.000000   0.000000   )
+ ( -0.092543  -0.238652     0.092597   0.430745    -0.000000   0.000000   )
+     freq (    6) =      22.507459 [THz] =     750.768010 [cm-1]
+ ( -0.082191  -0.232506     0.072523   0.417888     0.000000  -0.000000   )
+ (  0.081106  -0.242585    -0.072537   0.434290    -0.000000  -0.000000   )
+ (  0.021712   0.245648    -0.107442  -0.410300     0.000000  -0.000000   )
+ ( -0.083302  -0.241840     0.076472   0.433615     0.000000   0.000000   )
+     freq (    7) =      38.718937 [THz] =    1291.524721 [cm-1]
+ (  0.266343   0.010599     0.153755   0.006577    -0.000000  -0.000000   )
+ ( -0.477306  -0.272114    -0.308608  -0.090326     0.000000   0.000000   )
+ (  0.266327   0.010995     0.153782   0.005890    -0.000000   0.000000   )
+ (  0.549333  -0.010018     0.314140   0.068658    -0.000000   0.000000   )
+     freq (    8) =      38.734839 [THz] =    1292.055167 [cm-1]
+ (  0.257944   0.012821     0.149133   0.002323     0.000000   0.000000   )
+ ( -0.479358  -0.275929    -0.312054  -0.088070    -0.000000  -0.000000   )
+ ( -0.258125  -0.008422    -0.148819  -0.009942    -0.000000   0.000000   )
+ ( -0.552978   0.011692    -0.315992  -0.072684    -0.000000   0.000000   )
+     freq (    9) =      39.835815 [THz] =    1328.779773 [cm-1]
+ ( -0.535092   0.105445    -0.319535  -0.101049     0.000000  -0.000000   )
+ ( -0.207674  -0.135698    -0.164202   0.041709     0.000000   0.000000   )
+ (  0.544272   0.034789     0.303636  -0.141842    -0.000000   0.000000   )
+ ( -0.237674   0.071088    -0.145580  -0.086651     0.000000   0.000000   )
+     freq (   10) =      39.952799 [THz] =    1332.681918 [cm-1]
+ (  0.534359  -0.104217     0.319871   0.078468     0.000000  -0.000000   )
+ (  0.225298   0.127811     0.165286  -0.026662     0.000000   0.000000   )
+ (  0.544196   0.015847     0.302833  -0.129488     0.000000  -0.000000   )
+ ( -0.250278   0.066753    -0.153190  -0.067550    -0.000000   0.000000   )
+     freq (   11) =      41.352884 [THz] =    1379.383736 [cm-1]
+ (  0.198799  -0.179481    -0.423800   0.091353     0.000000   0.000000   )
+ ( -0.232275  -0.107981     0.417350  -0.022828    -0.000000   0.000000   )
+ ( -0.267622  -0.010626     0.384064  -0.201112     0.000000   0.000000   )
+ ( -0.194090   0.167155     0.407793  -0.091691    -0.000000   0.000000   )
+     freq (   12) =      41.430726 [THz] =    1381.980274 [cm-1]
+ ( -0.194699   0.192954     0.425800  -0.066999     0.000000   0.000000   )
+ (  0.225498   0.127155    -0.414332   0.019435    -0.000000   0.000000   )
+ ( -0.271404  -0.038454     0.381514  -0.200603    -0.000000  -0.000000   )
+ ( -0.192094   0.173544     0.408496  -0.071972     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4250      0.4186      0.0000
+ **************************************************************************
+     freq (    1) =      15.148819 [THz] =     505.310195 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500006   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.445498   0.226993   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.500006   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.499994   0.000000   )
+     freq (    2) =      15.522481 [THz] =     517.774230 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.467419   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.472754   0.240880   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.467419  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.530585   0.000000   )
+     freq (    3) =      19.232930 [THz] =     641.541491 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.530585   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.416473   0.212204   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.530585   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.467419   0.000000   )
+     freq (    4) =      19.353070 [THz] =     645.548926 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.499994  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.445508  -0.226998   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.499994   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500006   0.000000   )
+     freq (    5) =      23.213810 [THz] =     774.329343 [cm-1]
+ (  0.086645   0.231123    -0.065543  -0.418031     0.000000  -0.000000   )
+ ( -0.102094   0.235569     0.094543  -0.430319    -0.000000  -0.000000   )
+ (  0.013440   0.246464    -0.107810  -0.409173    -0.000000   0.000000   )
+ ( -0.088245  -0.241099     0.069401   0.435082    -0.000000   0.000000   )
+     freq (    6) =      23.260849 [THz] =     775.898411 [cm-1]
+ ( -0.076259  -0.234992     0.046265   0.420939     0.000000  -0.000000   )
+ (  0.112551  -0.230524    -0.114117   0.425208    -0.000000  -0.000000   )
+ (  0.001938   0.247048    -0.089175  -0.413978     0.000000  -0.000000   )
+ ( -0.076936  -0.244724     0.049468   0.437467     0.000000   0.000000   )
+     freq (    7) =      38.427670 [THz] =    1281.809086 [cm-1]
+ ( -0.281722  -0.007956    -0.162432  -0.010494     0.000000   0.000000   )
+ (  0.453182   0.295580     0.303832   0.094973    -0.000000  -0.000000   )
+ ( -0.281531  -0.013066    -0.162762  -0.001643     0.000000  -0.000000   )
+ ( -0.540777   0.017361    -0.308986  -0.076561     0.000000   0.000000   )
+     freq (    8) =      38.441036 [THz] =    1282.254938 [cm-1]
+ (  0.277151   0.009881     0.159959   0.007122     0.000000   0.000000   )
+ ( -0.453896  -0.298305    -0.306241  -0.093067    -0.000000  -0.000000   )
+ ( -0.277104  -0.011108    -0.160040  -0.004997    -0.000000   0.000000   )
+ ( -0.542823   0.018727    -0.309968  -0.079779    -0.000000   0.000000   )
+     freq (    9) =      39.629525 [THz] =    1321.898672 [cm-1]
+ (  0.519817  -0.114615     0.311833   0.123735    -0.000000   0.000000   )
+ (  0.207951   0.161887     0.180465  -0.045657    -0.000000  -0.000000   )
+ ( -0.529964  -0.049850    -0.294258   0.161127     0.000000  -0.000000   )
+ (  0.250693  -0.081266     0.154077   0.104463    -0.000000   0.000000   )
+     freq (   10) =      39.740890 [THz] =    1325.613418 [cm-1]
+ ( -0.521599   0.111606    -0.313570  -0.102992    -0.000000   0.000000   )
+ ( -0.222613  -0.154746    -0.179079   0.031179    -0.000000  -0.000000   )
+ ( -0.532360  -0.033391    -0.294933   0.148149    -0.000000   0.000000   )
+ (  0.260227  -0.076059     0.159914   0.086423     0.000000   0.000000   )
+     freq (   11) =      41.209106 [THz] =    1374.587831 [cm-1]
+ (  0.190140  -0.197124    -0.423709   0.075578     0.000000   0.000000   )
+ ( -0.220277  -0.139374     0.414377  -0.009602    -0.000000   0.000000   )
+ ( -0.271873  -0.033109     0.376521  -0.208504     0.000000   0.000000   )
+ ( -0.186201   0.182418     0.407197  -0.077400    -0.000000   0.000000   )
+     freq (   12) =      41.292637 [THz] =    1377.374117 [cm-1]
+ ( -0.185278   0.210927     0.424049  -0.054306     0.000000   0.000000   )
+ (  0.212541   0.156372    -0.410739   0.009085    -0.000000   0.000000   )
+ ( -0.274598  -0.058433     0.372480  -0.209822    -0.000000  -0.000000   )
+ ( -0.183185   0.189918     0.406407  -0.060186     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4167      0.4330      0.0000
+ **************************************************************************
+     freq (    1) =      15.178088 [THz] =     506.286508 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500080   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.432943   0.249960   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.500080   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.499920   0.000000   )
+     freq (    2) =      15.539763 [THz] =     518.350708 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.466956   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.459852   0.265496   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.466956  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.530992   0.000000   )
+     freq (    3) =      19.132117 [THz] =     638.178734 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.530992   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.404396   0.233478   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.530992   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.466956   0.000000   )
+     freq (    4) =      19.239652 [THz] =     641.765700 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.499920  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.433082  -0.250040   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.499920   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500080   0.000000   )
+     freq (    5) =      23.995122 [THz] =     800.391131 [cm-1]
+ (  0.077008   0.235216    -0.029428  -0.421196     0.000000  -0.000000   )
+ ( -0.138426   0.217487     0.143901  -0.416295    -0.000000  -0.000000   )
+ ( -0.013018   0.247159    -0.081406  -0.414301    -0.000000   0.000000   )
+ ( -0.077905  -0.245750     0.032119   0.439291    -0.000000   0.000000   )
+     freq (    6) =      24.045371 [THz] =     802.067243 [cm-1]
+ ( -0.078036  -0.235148     0.030690   0.421489     0.000000  -0.000000   )
+ (  0.137574  -0.217758    -0.142461   0.416390    -0.000000  -0.000000   )
+ ( -0.012439   0.247446    -0.082928  -0.414388     0.000000  -0.000000   )
+ ( -0.078588  -0.245294     0.033523   0.438807     0.000000   0.000000   )
+     freq (    7) =      38.114494 [THz] =    1271.362664 [cm-1]
+ (  0.295237   0.004470     0.169987   0.016008    -0.000000  -0.000000   )
+ ( -0.427429  -0.318248    -0.299908  -0.098699     0.000000   0.000000   )
+ (  0.294831   0.016098     0.170689  -0.004133    -0.000000   0.000000   )
+ (  0.532313  -0.024892     0.303838   0.085843    -0.000000   0.000000   )
+     freq (    8) =      38.124261 [THz] =    1271.688467 [cm-1]
+ (  0.293195   0.005903     0.168932   0.013314     0.000000   0.000000   )
+ ( -0.427449  -0.319765    -0.301525  -0.096991    -0.000000  -0.000000   )
+ ( -0.292896  -0.014481    -0.169448   0.001545    -0.000000   0.000000   )
+ ( -0.533174   0.026221    -0.304237  -0.088116    -0.000000   0.000000   )
+     freq (    9) =      39.405432 [THz] =    1314.423728 [cm-1]
+ (  0.504833  -0.121661     0.303019   0.148549    -0.000000   0.000000   )
+ (  0.201230   0.187805     0.195888  -0.048159    -0.000000  -0.000000   )
+ ( -0.514838  -0.067817    -0.285689   0.179636     0.000000  -0.000000   )
+ (  0.260149  -0.089927     0.159462   0.123544    -0.000000   0.000000   )
+     freq (   10) =      39.510626 [THz] =    1317.932637 [cm-1]
+ (  0.508203  -0.118687     0.306120   0.129392     0.000000  -0.000000   )
+ (  0.214130   0.181383     0.192872  -0.035224     0.000000   0.000000   )
+ (  0.519209   0.052713     0.287056  -0.167482     0.000000  -0.000000   )
+ ( -0.267468   0.084925    -0.164429  -0.106787    -0.000000   0.000000   )
+     freq (   11) =      41.064847 [THz] =    1369.775852 [cm-1]
+ (  0.182152  -0.214231    -0.422707   0.055863     0.000000   0.000000   )
+ ( -0.203234  -0.172112     0.410086   0.005207    -0.000000   0.000000   )
+ ( -0.274999  -0.058736     0.369102  -0.213461     0.000000   0.000000   )
+ ( -0.178788   0.197386     0.405826  -0.059187    -0.000000   0.000000   )
+     freq (   12) =      41.153381 [THz] =    1372.729016 [cm-1]
+ ( -0.176692   0.227745     0.421507  -0.038175     0.000000   0.000000   )
+ (  0.195107   0.186398    -0.406160  -0.003069    -0.000000   0.000000   )
+ ( -0.276690  -0.080811     0.363773  -0.216321    -0.000000  -0.000000   )
+ ( -0.174865   0.205507     0.403683  -0.044897     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4083      0.4474      0.0000
+ **************************************************************************
+     freq (    1) =      15.227403 [THz] =     507.931495 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500125   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.419231   0.272252   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.500125   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.499875   0.000000   )
+     freq (    2) =      15.575009 [THz] =     519.526386 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.466165   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.445910   0.289577   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.466165  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.531686   0.000000   )
+     freq (    3) =      19.016138 [THz] =     634.310086 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.531686   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.390959   0.253892   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.531686   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.466165   0.000000   )
+     freq (    4) =      19.108258 [THz] =     637.382894 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.499875  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.419440  -0.272388   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.499875   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500125   0.000000   )
+     freq (    5) =      24.796489 [THz] =     827.121837 [cm-1]
+ (  0.075278   0.236892    -0.003597  -0.421005     0.000000  -0.000000   )
+ ( -0.167842   0.197630     0.179502  -0.401880    -0.000000  -0.000000   )
+ ( -0.034523   0.246156    -0.066992  -0.415657    -0.000000   0.000000   )
+ ( -0.075746  -0.247975     0.005481   0.440112    -0.000000   0.000000   )
+     freq (    6) =      24.848178 [THz] =     828.845990 [cm-1]
+ ( -0.079234  -0.235899     0.010084   0.421322     0.000000  -0.000000   )
+ (  0.164657  -0.199989    -0.172975   0.404266    -0.000000  -0.000000   )
+ ( -0.030883   0.246926    -0.073662  -0.414956     0.000000  -0.000000   )
+ ( -0.079633  -0.246508     0.012294   0.439546     0.000000   0.000000   )
+     freq (    7) =      37.785071 [THz] =    1260.374316 [cm-1]
+ (  0.306531  -0.000039     0.176207   0.023340    -0.000000  -0.000000   )
+ ( -0.400073  -0.340186    -0.297342  -0.101229     0.000000   0.000000   )
+ (  0.305865   0.020194     0.177360  -0.011703    -0.000000   0.000000   )
+ (  0.524114  -0.033019     0.298781   0.096901    -0.000000   0.000000   )
+     freq (    8) =      37.790473 [THz] =    1260.554488 [cm-1]
+ (  0.305931   0.000978     0.175963   0.021153     0.000000   0.000000   )
+ ( -0.399811  -0.340817    -0.298394  -0.099756    -0.000000  -0.000000   )
+ ( -0.305354  -0.018809    -0.176963   0.009729    -0.000000   0.000000   )
+ ( -0.524244   0.034249    -0.298848  -0.098387    -0.000000   0.000000   )
+     freq (    9) =      39.164539 [THz] =    1306.388400 [cm-1]
+ (  0.490594  -0.126892     0.293021   0.174737    -0.000000   0.000000   )
+ (  0.187777   0.212061     0.210259  -0.048805    -0.000000  -0.000000   )
+ ( -0.499061  -0.087881    -0.278357   0.197261     0.000000  -0.000000   )
+ (  0.266184  -0.096832     0.161529   0.143176    -0.000000   0.000000   )
+     freq (   10) =      39.263125 [THz] =    1309.676893 [cm-1]
+ ( -0.494705   0.124697    -0.297276  -0.157306    -0.000000   0.000000   )
+ ( -0.199656  -0.206642    -0.206389   0.037948    -0.000000  -0.000000   )
+ ( -0.504801  -0.073882    -0.279789   0.186644    -0.000000   0.000000   )
+ (  0.271999  -0.092627     0.166267   0.128031     0.000000   0.000000   )
+     freq (   11) =      40.924491 [THz] =    1365.094081 [cm-1]
+ (  0.176313  -0.229661    -0.420361   0.031161     0.000000   0.000000   )
+ ( -0.179795  -0.205468     0.404250   0.023108    -0.000000  -0.000000   )
+ ( -0.275887  -0.087843     0.362871  -0.214473     0.000000   0.000000   )
+ ( -0.173162   0.211088     0.403309  -0.035967    -0.000000   0.000000   )
+     freq (   12) =      41.016664 [THz] =    1368.168654 [cm-1]
+ (  0.169439  -0.243160    -0.417820   0.019067    -0.000000  -0.000000   )
+ ( -0.172808  -0.216040     0.400502   0.016988     0.000000   0.000000   )
+ (  0.277123   0.105067    -0.355648   0.220117     0.000000   0.000000   )
+ (  0.167605  -0.220101    -0.399983   0.026538    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.4000      0.4619      0.0000
+ **************************************************************************
+     freq (    1) =      15.300247 [THz] =     510.361316 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500127   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.404406   0.293818   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.500127   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.499873   0.000000   )
+     freq (    2) =      15.631623 [THz] =     521.414819 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.464916   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.431027   0.313160   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.464916  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.532779   0.000000   )
+     freq (    3) =      18.884016 [THz] =     629.902963 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.532779   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.376125   0.273271   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.532779   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.464916   0.000000   )
+     freq (    4) =      18.957663 [THz] =     632.359572 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.499873  -0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.404611  -0.293967   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.499873   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500127   0.000000   )
+     freq (    5) =      25.604963 [THz] =     854.089640 [cm-1]
+ (  0.080924   0.236788     0.014165  -0.419167     0.000000  -0.000000   )
+ ( -0.192430   0.176909     0.203819  -0.389375    -0.000000  -0.000000   )
+ ( -0.052728   0.244616    -0.063001  -0.414648    -0.000000   0.000000   )
+ ( -0.081253  -0.248443    -0.012779   0.439308    -0.000000   0.000000   )
+     freq (    6) =      25.656213 [THz] =     855.799135 [cm-1]
+ (  0.083707   0.236144     0.009755  -0.419747    -0.000000   0.000000   )
+ ( -0.190540   0.178620     0.199260  -0.391192     0.000000   0.000000   )
+ (  0.050301  -0.245440     0.067616   0.414380    -0.000000   0.000000   )
+ (  0.084104   0.247259     0.008207  -0.438940    -0.000000   0.000000   )
+     freq (    7) =      37.446477 [THz] =    1249.080024 [cm-1]
+ ( -0.315282   0.005752    -0.180894  -0.032787     0.000000   0.000000   )
+ (  0.370895   0.361526     0.296729   0.102243    -0.000000  -0.000000   )
+ ( -0.314299  -0.025528    -0.182595   0.021369     0.000000  -0.000000   )
+ ( -0.516224   0.042159    -0.293809  -0.110354     0.000000   0.000000   )
+     freq (    8) =      37.446996 [THz] =    1249.097346 [cm-1]
+ (  0.315280  -0.004973     0.180990   0.030921     0.000000   0.000000   )
+ ( -0.370621  -0.361689    -0.297434  -0.101064    -0.000000  -0.000000   )
+ ( -0.314381  -0.024302    -0.182546   0.019762    -0.000000   0.000000   )
+ ( -0.516055   0.043197    -0.293761  -0.111292    -0.000000   0.000000   )
+     freq (    9) =      38.908178 [THz] =    1297.837126 [cm-1]
+ ( -0.477520   0.130457    -0.281756  -0.201702     0.000000  -0.000000   )
+ ( -0.168255  -0.233390    -0.223337   0.047182     0.000000   0.000000   )
+ (  0.482767   0.109450     0.272666  -0.213829    -0.000000  -0.000000   )
+ ( -0.269111   0.101784    -0.160214  -0.162595     0.000000   0.000000   )
+     freq (   10) =      38.999745 [THz] =    1300.891474 [cm-1]
+ ( -0.481777   0.128767    -0.286661  -0.186458    -0.000000   0.000000   )
+ ( -0.179252  -0.229492    -0.219315   0.038371    -0.000000  -0.000000   )
+ ( -0.489144  -0.097094    -0.273900   0.204744    -0.000000   0.000000   )
+ (  0.274081  -0.098373     0.164971   0.149519     0.000000   0.000000   )
+     freq (   11) =      40.792053 [THz] =    1360.676425 [cm-1]
+ (  0.172187  -0.243835    -0.415885   0.004212     0.000000   0.000000   )
+ ( -0.150529  -0.236787     0.396764   0.042062    -0.000000  -0.000000   )
+ ( -0.274073  -0.118269     0.357060  -0.213274     0.000000   0.000000   )
+ ( -0.168915   0.224042     0.398854  -0.010317    -0.000000   0.000000   )
+     freq (   12) =      40.885836 [THz] =    1363.804691 [cm-1]
+ (  0.163383  -0.257330    -0.412689  -0.001533    -0.000000  -0.000000   )
+ ( -0.146084  -0.243667     0.393767   0.031710     0.000000   0.000000   )
+ (  0.275708   0.129992    -0.347838   0.222088     0.000000   0.000000   )
+ (  0.161322  -0.233857    -0.394988   0.006541    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3917      0.4763      0.0000
+ **************************************************************************
+     freq (    1) =      15.399713 [THz] =     513.679144 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.500068   0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.388520   0.314617   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.500068   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.499932   0.000000   )
+     freq (    2) =      15.712665 [THz] =     524.118104 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.463011   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.415334   0.336331   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.463011  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.534435   0.000000   )
+     freq (    3) =      18.734853 [THz] =     624.927413 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.534435  -0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.359827  -0.291382   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.534435  -0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000    -0.463011   0.000000   )
+     freq (    4) =      18.786751 [THz] =     626.658574 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.499932  -0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.388626  -0.314703   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.499932   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500068   0.000000   )
+     freq (    5) =      26.406656 [THz] =     880.831241 [cm-1]
+ ( -0.091177  -0.235827    -0.030288   0.416083    -0.000000   0.000000   )
+ (  0.215621  -0.153098    -0.222593   0.377558     0.000000   0.000000   )
+ (  0.071818  -0.242425     0.063818   0.412274     0.000000  -0.000000   )
+ (  0.091572   0.248085     0.029370  -0.437305     0.000000   0.000000   )
+     freq (    6) =      26.455562 [THz] =     882.462546 [cm-1]
+ ( -0.093664  -0.235194    -0.026373   0.416824     0.000000  -0.000000   )
+ (  0.214274  -0.154671    -0.218428   0.379376    -0.000000  -0.000000   )
+ ( -0.069671   0.243383    -0.067930  -0.412096     0.000000   0.000000   )
+ ( -0.094347  -0.246851    -0.025415   0.437025     0.000000   0.000000   )
+     freq (    7) =      37.103004 [THz] =    1237.623004 [cm-1]
+ ( -0.321039   0.012181    -0.183876  -0.042949    -0.000000  -0.000000   )
+ (  0.339337   0.382429     0.299397   0.100452     0.000000   0.000000   )
+ (  0.319761   0.031103     0.186090  -0.032024     0.000000  -0.000000   )
+ (  0.508442  -0.053744     0.288865   0.127618     0.000000   0.000000   )
+     freq (    8) =      37.107715 [THz] =    1237.780150 [cm-1]
+ (  0.321071  -0.012818     0.183779   0.044766    -0.000000  -0.000000   )
+ ( -0.339332  -0.382446    -0.298798  -0.101388     0.000000   0.000000   )
+ (  0.319693   0.032358     0.186166  -0.033484    -0.000000   0.000000   )
+ (  0.508552  -0.052779     0.288809   0.127080    -0.000000   0.000000   )
+     freq (    9) =      38.638118 [THz] =    1288.828871 [cm-1]
+ (  0.466148  -0.131936     0.268898   0.229338    -0.000000   0.000000   )
+ (  0.143288   0.250815     0.234806  -0.042701    -0.000000  -0.000000   )
+ ( -0.465947  -0.132645    -0.269247   0.228929     0.000000   0.000000   )
+ (  0.269358  -0.104337     0.155330   0.181189    -0.000000   0.000000   )
+     freq (   10) =      38.722215 [THz] =    1291.634067 [cm-1]
+ (  0.469958  -0.130834     0.274107   0.216259     0.000000  -0.000000   )
+ (  0.153540   0.248643     0.231155  -0.035894     0.000000   0.000000   )
+ (  0.472363   0.121869     0.269942  -0.221435     0.000000   0.000000   )
+ ( -0.273911   0.101836    -0.160323  -0.170346    -0.000000   0.000000   )
+     freq (   11) =      40.670973 [THz] =    1356.637620 [cm-1]
+ ( -0.170411   0.256206     0.408994   0.024607    -0.000000  -0.000000   )
+ (  0.115492   0.264606    -0.387553  -0.062329     0.000000   0.000000   )
+ (  0.268993   0.149413    -0.352077   0.209578    -0.000000  -0.000000   )
+ (  0.166666  -0.235748    -0.392147  -0.017415     0.000000   0.000000   )
+     freq (   12) =      40.763761 [THz] =    1359.732705 [cm-1]
+ ( -0.158109   0.270478     0.406094   0.022082     0.000000   0.000000   )
+ (  0.115947   0.267925    -0.386110  -0.046205    -0.000000  -0.000000   )
+ ( -0.272634  -0.154362     0.339973  -0.223201    -0.000000  -0.000000   )
+ ( -0.155685   0.246960     0.388627   0.013589     0.000000  -0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3833      0.4907      0.0000
+ **************************************************************************
+     freq (    1) =      15.528362 [THz] =     517.970394 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499923   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.371630   0.334617   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499923   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.500077   0.000000   )
+     freq (    2) =      15.820698 [THz] =     527.721678 [cm-1]
+ (  0.000000  -0.000000     0.000000   0.000000     0.460130   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.399008   0.359268   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.460130  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.536918   0.000000   )
+     freq (    3) =      18.567877 [THz] =     619.357705 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.536918   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.341943   0.307887   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.536918   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.460130   0.000000   )
+     freq (    4) =      18.594560 [THz] =     620.247759 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.500077  -0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.371515  -0.334514   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.500077   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.499923   0.000000   )
+     freq (    5) =      27.185705 [THz] =     906.817510 [cm-1]
+ ( -0.106457  -0.233789    -0.045895   0.411494    -0.000000   0.000000   )
+ (  0.237964  -0.125311    -0.235965   0.366834     0.000000   0.000000   )
+ (  0.092975  -0.239470     0.069248   0.408214     0.000000   0.000000   )
+ (  0.107208   0.246649     0.045481  -0.433795     0.000000   0.000000   )
+     freq (    6) =      27.230412 [THz] =     908.308779 [cm-1]
+ ( -0.108168  -0.233351    -0.043307   0.412249     0.000000  -0.000000   )
+ (  0.237398  -0.126168    -0.232887   0.368115    -0.000000  -0.000000   )
+ ( -0.091589   0.240343    -0.072024  -0.408213     0.000000  -0.000000   )
+ ( -0.109435  -0.245561    -0.043048   0.433465     0.000000   0.000000   )
+     freq (    7) =      36.770335 [THz] =    1226.526357 [cm-1]
+ ( -0.322682   0.020821    -0.184273  -0.057676    -0.000000  -0.000000   )
+ (  0.305015   0.403076     0.305225   0.097433     0.000000   0.000000   )
+ (  0.320926   0.039537     0.187314  -0.046871     0.000000  -0.000000   )
+ (  0.501089  -0.066443     0.283868   0.148575     0.000000   0.000000   )
+     freq (    8) =      36.780559 [THz] =    1226.867391 [cm-1]
+ (  0.323210  -0.021449     0.184420   0.059715    -0.000000  -0.000000   )
+ ( -0.304552  -0.402962    -0.304520  -0.098160     0.000000   0.000000   )
+ (  0.321317   0.040989     0.187698  -0.048434    -0.000000   0.000000   )
+ (  0.500846  -0.065455     0.283523   0.148264    -0.000000   0.000000   )
+     freq (    9) =      38.356599 [THz] =    1279.438424 [cm-1]
+ (  0.456942  -0.131261     0.254181   0.257572    -0.000000  -0.000000   )
+ (  0.113738   0.263211     0.244090  -0.035035    -0.000000  -0.000000   )
+ ( -0.448598  -0.157434    -0.268633   0.242461     0.000000   0.000000   )
+ (  0.267113  -0.104245     0.146750   0.198170    -0.000000   0.000000   )
+     freq (   10) =      38.432697 [THz] =    1281.976793 [cm-1]
+ (  0.459818  -0.130884     0.259473   0.246387     0.000000  -0.000000   )
+ (  0.123351   0.262861     0.241217  -0.030105     0.000000   0.000000   )
+ (  0.454620   0.147935     0.268478  -0.236543     0.000000   0.000000   )
+ ( -0.271576   0.102754    -0.152153  -0.189582    -0.000000   0.000000   )
+     freq (   11) =      40.564008 [THz] =    1353.069662 [cm-1]
+ (  0.173692  -0.264932    -0.398969  -0.058220     0.000000   0.000000   )
+ ( -0.072628  -0.288108     0.375760   0.087174    -0.000000  -0.000000   )
+ ( -0.258671  -0.182886     0.349906  -0.200329     0.000000   0.000000   )
+ ( -0.168970   0.244398     0.382484   0.050009    -0.000000   0.000000   )
+     freq (   12) =      40.652775 [THz] =    1356.030604 [cm-1]
+ ( -0.158398   0.279888     0.397424   0.048844     0.000000   0.000000   )
+ (  0.078235   0.289533    -0.376609  -0.066758    -0.000000  -0.000000   )
+ ( -0.264981  -0.182243     0.335889  -0.217969    -0.000000  -0.000000   )
+ ( -0.155126   0.256683     0.380403   0.039807     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3750      0.5052      0.0000
+ **************************************************************************
+     freq (    1) =      15.688100 [THz] =     523.298704 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499643   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.353806   0.353806   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499643   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.500357   0.000000   )
+     freq (    2) =      15.957621 [THz] =     532.288957 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.455698   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.382322   0.382322   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.455698  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.540684   0.000000   )
+     freq (    3) =      18.380309 [THz] =     613.101114 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.500357  -0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.353301   0.353301   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.500357   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.499643   0.000000   )
+     freq (    4) =      18.382512 [THz] =     613.174598 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.540684  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.322227   0.322227   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.540684   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.455698   0.000000   )
+     freq (    5) =      27.922769 [THz] =     931.403330 [cm-1]
+ ( -0.126946  -0.230460    -0.062855   0.404656    -0.000000   0.000000   )
+ (  0.259901  -0.091764    -0.244288   0.356974     0.000000   0.000000   )
+ (  0.117906  -0.235213     0.078512   0.401912     0.000000   0.000000   )
+ (  0.128452   0.243863     0.063121  -0.427928     0.000000   0.000000   )
+     freq (    6) =      27.961550 [THz] =     932.696900 [cm-1]
+ ( -0.128147  -0.230132    -0.061106   0.405374     0.000000  -0.000000   )
+ (  0.259838  -0.092029    -0.241811   0.357908    -0.000000  -0.000000   )
+ ( -0.116992   0.235999    -0.080427  -0.401987     0.000000  -0.000000   )
+ ( -0.130425  -0.242847    -0.061714   0.427506     0.000000   0.000000   )
+     freq (    7) =      36.464701 [THz] =    1216.331511 [cm-1]
+ (  0.319082  -0.031066     0.181474   0.075422     0.000000   0.000000   )
+ ( -0.266413  -0.423438    -0.316186  -0.091386    -0.000000  -0.000000   )
+ ( -0.316702  -0.049783    -0.185596   0.064616    -0.000000   0.000000   )
+ ( -0.493485   0.082146    -0.278347  -0.175636    -0.000000   0.000000   )
+     freq (    8) =      36.480764 [THz] =    1216.867318 [cm-1]
+ ( -0.320481   0.031778    -0.182031  -0.077988     0.000000   0.000000   )
+ (  0.265337   0.422931     0.315164   0.091988    -0.000000  -0.000000   )
+ ( -0.317884  -0.051650    -0.186529   0.066515     0.000000  -0.000000   )
+ ( -0.492668   0.080950    -0.277527  -0.175410     0.000000   0.000000   )
+     freq (    9) =      38.066376 [THz] =    1269.757640 [cm-1]
+ (  0.450471  -0.128251     0.237188   0.286700    -0.000000  -0.000000   )
+ (  0.080482   0.269274     0.250224  -0.023976    -0.000000  -0.000000   )
+ ( -0.430646  -0.184164    -0.271525   0.254419     0.000000   0.000000   )
+ (  0.262205  -0.101164     0.134190   0.212555    -0.000000   0.000000   )
+     freq (   10) =      38.133822 [THz] =    1272.007383 [cm-1]
+ (  0.452023  -0.128853     0.242559   0.276936     0.000000   0.000000   )
+ (  0.089588   0.270828     0.248472  -0.020786     0.000000   0.000000   )
+ (  0.436074   0.175407     0.270184  -0.250058     0.000000   0.000000   )
+ ( -0.266855   0.100808    -0.140210  -0.206184    -0.000000   0.000000   )
+     freq (   11) =      40.473222 [THz] =    1350.041353 [cm-1]
+ (  0.189772  -0.264497    -0.381950  -0.106335    -0.000000   0.000000   )
+ ( -0.013815  -0.305246     0.357208   0.125982    -0.000000  -0.000000   )
+ ( -0.235892  -0.224337     0.355322  -0.175895     0.000000   0.000000   )
+ ( -0.183087   0.244633     0.366218   0.096714    -0.000000   0.000000   )
+     freq (   12) =      40.554700 [THz] =    1352.759172 [cm-1]
+ ( -0.169587   0.282599     0.384108   0.087681    -0.000000   0.000000   )
+ (  0.027539   0.306613    -0.362720  -0.099076    -0.000000  -0.000000   )
+ ( -0.247854  -0.217233     0.338920  -0.200898    -0.000000  -0.000000   )
+ ( -0.164650   0.260116     0.367895   0.077685     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3667      0.5196      0.0000
+ **************************************************************************
+     freq (    1) =      15.880096 [THz] =     529.702984 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.499137   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.335142   0.372212   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.499137   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.500861   0.000000   )
+     freq (    2) =      16.124482 [THz] =     537.854833 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.448575   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.365752   0.406209   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.448575  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.546608   0.000000   )
+     freq (    3) =      18.143431 [THz] =     605.199700 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.500861  -0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000     0.333988   0.370931   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.500861  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.499137   0.000000   )
+     freq (    4) =      18.178501 [THz] =     606.369539 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.546608  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.300155   0.333356   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.546608   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.448575   0.000000   )
+     freq (    5) =      28.593165 [THz] =     953.765314 [cm-1]
+ ( -0.153043  -0.225431    -0.082547   0.394311    -0.000000   0.000000   )
+ (  0.281018  -0.050456    -0.247067   0.347713     0.000000   0.000000   )
+ (  0.148009  -0.228768     0.091267   0.392385     0.000000  -0.000000   )
+ (  0.155882   0.239202     0.083831  -0.418233     0.000000   0.000000   )
+     freq (    6) =      28.624520 [THz] =     954.811219 [cm-1]
+ ( -0.154674  -0.224614    -0.079951   0.395239     0.000000  -0.000000   )
+ (  0.281077  -0.051233    -0.243707   0.349280    -0.000000  -0.000000   )
+ ( -0.146576   0.229980    -0.093977  -0.392141     0.000000   0.000000   )
+ ( -0.158568  -0.237666    -0.081659   0.417997     0.000000   0.000000   )
+     freq (    7) =      36.207061 [THz] =    1207.737556 [cm-1]
+ (  0.308071  -0.042736     0.174133   0.095921     0.000000   0.000000   )
+ ( -0.221928  -0.443073    -0.333910  -0.081741    -0.000000  -0.000000   )
+ ( -0.304839  -0.061702    -0.179731   0.084971    -0.000000   0.000000   )
+ ( -0.484985   0.101758    -0.271670  -0.210648    -0.000000   0.000000   )
+     freq (    8) =      36.229438 [THz] =    1208.483957 [cm-1]
+ ( -0.310740   0.043323    -0.175132  -0.099519     0.000000   0.000000   )
+ (  0.219702   0.442127     0.332277   0.082673    -0.000000  -0.000000   )
+ ( -0.307039  -0.064524    -0.181543   0.087279     0.000000  -0.000000   )
+ ( -0.483543   0.099656    -0.269972  -0.210614     0.000000   0.000000   )
+     freq (    9) =      37.770905 [THz] =    1259.901776 [cm-1]
+ (  0.447846  -0.121565     0.216523   0.318010    -0.000000  -0.000000   )
+ (  0.043912   0.267187     0.251487  -0.008948    -0.000000  -0.000000   )
+ ( -0.411438  -0.214623    -0.279584   0.264284     0.000000   0.000000   )
+ (  0.253945  -0.093963     0.116589   0.223009    -0.000000   0.000000   )
+     freq (   10) =      37.828836 [THz] =    1261.834160 [cm-1]
+ (  0.447594  -0.124206     0.222727   0.308753     0.000000   0.000000   )
+ (  0.053032   0.270773     0.251211  -0.007739     0.000000   0.000000   )
+ (  0.416684   0.205285     0.276264  -0.261942     0.000000   0.000000   )
+ ( -0.258947   0.095274    -0.123825  -0.218710    -0.000000   0.000000   )
+     freq (   11) =      40.400034 [THz] =    1347.600062 [cm-1]
+ (  0.223713  -0.247737    -0.348908  -0.173627    -0.000000   0.000000   )
+ (  0.067189  -0.306563     0.323548   0.183077    -0.000000  -0.000000   )
+ ( -0.190307  -0.274234     0.368195  -0.127734     0.000000   0.000000   )
+ ( -0.213885   0.229670     0.334638   0.161919    -0.000000   0.000000   )
+     freq (   12) =      40.470903 [THz] =    1349.964002 [cm-1]
+ ( -0.189629   0.278786     0.363616   0.133983    -0.000000   0.000000   )
+ ( -0.033773   0.313784    -0.342454  -0.138838    -0.000000  -0.000000   )
+ ( -0.220087  -0.255425     0.346031  -0.174445    -0.000000  -0.000000   )
+ ( -0.182505   0.257473     0.348536   0.122772     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3583      0.5340      0.0000
+ **************************************************************************
+     freq (    1) =      16.104721 [THz] =     537.195684 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.498192   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.315794   0.389973   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.498192   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.501801   0.000000   )
+     freq (    2) =      16.321115 [THz] =     544.413812 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.436125   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.350275   0.432553   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.436125  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.556592   0.000000   )
+     freq (    3) =      17.883594 [THz] =     596.532474 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.501801   0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.313522  -0.387168   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.501801   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.498192  -0.000000   )
+     freq (    4) =      17.956226 [THz] =     598.955228 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.556592  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.274463   0.338933   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.556592   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.436125   0.000000   )
+     freq (    5) =      29.165514 [THz] =     972.856826 [cm-1]
+ (  0.185540   0.217517     0.104357  -0.379083     0.000000  -0.000000   )
+ ( -0.299671   0.000742     0.242086  -0.339497    -0.000000  -0.000000   )
+ ( -0.183145   0.219537    -0.108505  -0.377916    -0.000000   0.000000   )
+ ( -0.190559  -0.231281    -0.107078   0.402986    -0.000000   0.000000   )
+     freq (    6) =      29.188375 [THz] =     973.619403 [cm-1]
+ ( -0.186895  -0.216564    -0.102084   0.380007     0.000000  -0.000000   )
+ (  0.300028  -0.001339    -0.238941   0.340928    -0.000000  -0.000000   )
+ ( -0.181854   0.220814    -0.110815  -0.377553     0.000000   0.000000   )
+ ( -0.193117  -0.229618    -0.105325   0.402780     0.000000   0.000000   )
+     freq (    7) =      36.023897 [THz] =    1201.627858 [cm-1]
+ (  0.285542  -0.054897     0.159945   0.116747     0.000000   0.000000   )
+ ( -0.170377  -0.461138    -0.360474  -0.067977    -0.000000  -0.000000   )
+ ( -0.281287  -0.073657    -0.167314   0.105916    -0.000000  -0.000000   )
+ ( -0.475009   0.126664    -0.263375  -0.255336    -0.000000   0.000000   )
+     freq (    8) =      36.053303 [THz] =    1202.608737 [cm-1]
+ ( -0.289976   0.055424    -0.161437  -0.121804     0.000000   0.000000   )
+ (  0.166744   0.459469     0.358018   0.069653    -0.000000  -0.000000   )
+ ( -0.284797  -0.077773    -0.170408   0.108901     0.000000  -0.000000   )
+ ( -0.473006   0.123212    -0.260394  -0.255389     0.000000   0.000000   )
+     freq (    9) =      37.475097 [THz] =    1250.034686 [cm-1]
+ (  0.449763  -0.113339     0.192915   0.351810    -0.000000  -0.000000   )
+ (  0.007240   0.253143     0.244301   0.008020    -0.000000  -0.000000   )
+ ( -0.391951  -0.248007    -0.293049   0.274060     0.000000   0.000000   )
+ (  0.239186  -0.083210     0.094330   0.225497    -0.000000   0.000000   )
+     freq (   10) =      37.522254 [THz] =    1251.607670 [cm-1]
+ ( -0.447942   0.117069    -0.199497  -0.343160    -0.000000  -0.000000   )
+ ( -0.015442  -0.259308    -0.246042  -0.008304    -0.000000  -0.000000   )
+ ( -0.396740  -0.238651    -0.288181   0.272965    -0.000000  -0.000000   )
+ (  0.245303  -0.085474     0.102291   0.223925     0.000000   0.000000   )
+     freq (   11) =      40.345308 [THz] =    1345.774612 [cm-1]
+ ( -0.307733   0.148175     0.231529   0.305142     0.000000  -0.000000   )
+ ( -0.217650   0.237097    -0.208683  -0.299152    -0.000000   0.000000   )
+ (  0.046645   0.338348    -0.382269  -0.024246     0.000000  -0.000000   )
+ (  0.291428  -0.136588    -0.222859  -0.288746     0.000000   0.000000   )
+     freq (   12) =      40.402371 [THz] =    1347.678045 [cm-1]
+ ( -0.256196   0.230096     0.300481   0.234347    -0.000000   0.000000   )
+ ( -0.149530   0.286402    -0.281137  -0.229757     0.000000  -0.000000   )
+ ( -0.132127  -0.317998     0.372112  -0.082096    -0.000000  -0.000000   )
+ ( -0.243617   0.212218     0.289002   0.219782     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3500      0.5485      0.0000
+ **************************************************************************
+     freq (    1) =      16.361539 [THz] =     545.762185 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.496166  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.296129  -0.407587   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.496166  -0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.503805   0.000000   )
+     freq (    2) =      16.545014 [THz] =     551.882269 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.410662  -0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.338350  -0.465699   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.410662   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000    -0.575636   0.000000   )
+     freq (    3) =      17.600730 [THz] =     587.097164 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.503805   0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.291639  -0.401406   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.503805   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.496166   0.000000   )
+     freq (    4) =      17.717830 [THz] =     591.003189 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.575636  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.241381   0.332232   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.575636   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.410662  -0.000000   )
+     freq (    5) =      29.603542 [THz] =     987.467867 [cm-1]
+ (  0.223000   0.205951     0.128037  -0.357486     0.000000  -0.000000   )
+ ( -0.313306  -0.057318     0.228647  -0.331572    -0.000000  -0.000000   )
+ ( -0.222383   0.206617    -0.129106  -0.357101    -0.000000  -0.000000   )
+ ( -0.231184  -0.219089    -0.132715   0.380272    -0.000000   0.000000   )
+     freq (    6) =      29.617612 [THz] =     987.937184 [cm-1]
+ ( -0.223829  -0.205103    -0.126429   0.358268     0.000000  -0.000000   )
+ (  0.313789   0.057034    -0.226209   0.332575    -0.000000  -0.000000   )
+ ( -0.221404   0.207719    -0.130629  -0.356758     0.000000  -0.000000   )
+ ( -0.233155  -0.217612    -0.131640   0.380062     0.000000   0.000000   )
+     freq (    7) =      35.942299 [THz] =    1198.906048 [cm-1]
+ (  0.243422  -0.063276     0.134452   0.129931     0.000000   0.000000   )
+ ( -0.110900  -0.477690    -0.398354  -0.051088    -0.000000  -0.000000   )
+ ( -0.238150  -0.080885    -0.143583   0.119764    -0.000000   0.000000   )
+ ( -0.464392   0.157564    -0.253398  -0.311585    -0.000000   0.000000   )
+     freq (    8) =      35.979880 [THz] =    1200.159622 [cm-1]
+ (  0.250301  -0.063900     0.136481   0.137000    -0.000000  -0.000000   )
+ ( -0.105406  -0.475164    -0.394997  -0.054379     0.000000   0.000000   )
+ (  0.243347   0.086695     0.148526  -0.123839    -0.000000  -0.000000   )
+ (  0.462353  -0.152057     0.248486   0.311823    -0.000000   0.000000   )
+     freq (    9) =      37.188144 [THz] =    1240.462955 [cm-1]
+ (  0.459242  -0.101829     0.163831   0.391973    -0.000000  -0.000000   )
+ ( -0.026272   0.219733     0.220537   0.025191    -0.000000  -0.000000   )
+ ( -0.371503  -0.288544    -0.315799   0.284173     0.000000   0.000000   )
+ (  0.211074  -0.066487     0.065574   0.212065    -0.000000   0.000000   )
+     freq (   10) =      37.222411 [THz] =    1241.605987 [cm-1]
+ ( -0.456556   0.104837    -0.169656  -0.384371    -0.000000  -0.000000   )
+ (  0.020756  -0.228848    -0.224827  -0.026306    -0.000000  -0.000000   )
+ ( -0.375205  -0.280456    -0.310561   0.282977    -0.000000  -0.000000   )
+ (  0.219347  -0.068477     0.073056   0.214248     0.000000   0.000000   )
+     freq (   11) =      40.309450 [THz] =    1344.578514 [cm-1]
+ (  0.340356   0.076310     0.033006  -0.375034    -0.000000  -0.000000   )
+ (  0.329405  -0.009088    -0.041237   0.355393     0.000000  -0.000000   )
+ (  0.198760  -0.286635     0.278255   0.253602    -0.000000   0.000000   )
+ ( -0.321142  -0.073881    -0.029670   0.356545    -0.000000   0.000000   )
+     freq (   12) =      40.349796 [THz] =    1345.924304 [cm-1]
+ (  0.346521  -0.056997    -0.101894  -0.360534     0.000000  -0.000000   )
+ (  0.304844  -0.127141     0.092224   0.344540    -0.000000   0.000000   )
+ ( -0.085017   0.340731    -0.351043  -0.130905    -0.000000   0.000000   )
+ (  0.326502  -0.049910    -0.100376  -0.342254    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3417      0.5629      0.0000
+ **************************************************************************
+     freq (    1) =      16.649258 [THz] =     555.359471 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.489824  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.277751  -0.427699   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.489824  -0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.509973   0.000000   )
+     freq (    2) =      16.784930 [THz] =     559.884990 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.338740   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.338052   0.520554   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.338740  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.620689   0.000000   )
+     freq (    3) =      17.295117 [THz] =     576.903007 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.509973   0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.266777  -0.410801   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.509973   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.489824   0.000000   )
+     freq (    4) =      17.473650 [THz] =     582.858213 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.620689  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.184491   0.284091   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.620689   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.338740  -0.000000   )
+     freq (    5) =      29.874872 [THz] =     996.518480 [cm-1]
+ ( -0.261683  -0.190889    -0.152090   0.329243    -0.000000   0.000000   )
+ (  0.318538   0.120758    -0.207927   0.322906     0.000000   0.000000   )
+ (  0.262554  -0.189690     0.150581   0.329936     0.000000   0.000000   )
+ (  0.273840   0.202634     0.159168  -0.349525     0.000000   0.000000   )
+     freq (    6) =      29.880974 [THz] =     996.722021 [cm-1]
+ (  0.262213   0.190017     0.150739  -0.330013    -0.000000   0.000000   )
+ ( -0.319066  -0.120212     0.206095  -0.323694     0.000000   0.000000   )
+ (  0.261649  -0.190792     0.151715   0.329565    -0.000000   0.000000   )
+ (  0.275192   0.201305     0.158191  -0.349612    -0.000000   0.000000   )
+     freq (    7) =      35.968909 [THz] =    1199.793652 [cm-1]
+ (  0.161487  -0.056484     0.088479   0.110102     0.000000   0.000000   )
+ ( -0.048548  -0.494352    -0.450674  -0.030546    -0.000000  -0.000000   )
+ ( -0.157368  -0.067109    -0.095612   0.103967    -0.000000  -0.000000   )
+ ( -0.455275   0.198658    -0.246416  -0.378576    -0.000000   0.000000   )
+     freq (    8) =      36.016793 [THz] =    1201.390902 [cm-1]
+ (  0.171014  -0.056195     0.089915   0.119714    -0.000000  -0.000000   )
+ ( -0.035924  -0.492200    -0.447143  -0.041128     0.000000   0.000000   )
+ (  0.163375   0.075578     0.103145  -0.108523    -0.000000  -0.000000   )
+ (  0.456956  -0.186395     0.235422   0.382368    -0.000000   0.000000   )
+     freq (    9) =      36.935507 [THz] =    1232.035887 [cm-1]
+ (  0.483041  -0.067490     0.107547   0.448659    -0.000000  -0.000000   )
+ ( -0.049147   0.145184     0.155652   0.039165     0.000000  -0.000000   )
+ ( -0.334660  -0.354804    -0.364551   0.282779     0.000000   0.000000   )
+ (  0.149360  -0.034433     0.023458   0.158780    -0.000000   0.000000   )
+     freq (   10) =      36.953064 [THz] =    1232.621550 [cm-1]
+ ( -0.480880   0.070891    -0.114393  -0.442602    -0.000000  -0.000000   )
+ (  0.047424  -0.156407    -0.162121  -0.041840     0.000000  -0.000000   )
+ ( -0.339509  -0.347858    -0.359257   0.282696    -0.000000  -0.000000   )
+ (  0.159529  -0.035537     0.029538   0.164807     0.000000   0.000000   )
+     freq (   11) =      40.292502 [THz] =    1344.013194 [cm-1]
+ (  0.269257   0.232301     0.221806  -0.296264    -0.000000  -0.000000   )
+ (  0.280243   0.186939    -0.214741   0.277436     0.000000   0.000000   )
+ (  0.326717  -0.140424     0.122282   0.349310    -0.000000   0.000000   )
+ ( -0.254924  -0.220217    -0.210095   0.280970    -0.000000   0.000000   )
+     freq (   12) =      40.313644 [THz] =    1344.718420 [cm-1]
+ (  0.316892   0.165864     0.154009  -0.334569     0.000000   0.000000   )
+ (  0.314337   0.122101    -0.148052   0.317454    -0.000000  -0.000000   )
+ ( -0.291820   0.206815    -0.197434  -0.310926    -0.000000   0.000000   )
+ (  0.297541   0.158701     0.144143  -0.319248    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3333      0.5774      0.0000
+ **************************************************************************
+     freq (    1) =      16.949585 [THz] =     565.377296 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.000000   0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.707043  -0.000584   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.707171   0.000000   )
+     freq (    2) =      16.949585 [THz] =     565.377296 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.000000   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.707170  -0.000584   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.000000  -0.000000   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.707043   0.000000   )
+     freq (    3) =      16.983601 [THz] =     566.511951 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.354648  -0.611739   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.000000   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.354648  -0.611739   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.000000   0.000000   )
+     freq (    4) =      17.313562 [THz] =     577.518251 [cm-1]
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.354786  -0.611659   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.000000   0.000000   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.354786   0.611659   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.000000   0.000000   )
+     freq (    5) =      29.965572 [THz] =     999.543881 [cm-1]
+ (  0.296982   0.173279     0.173409  -0.297205    -0.000000   0.000000   )
+ ( -0.313580  -0.182963     0.182963  -0.313580    -0.000000   0.000000   )
+ (  0.296687   0.173455    -0.173585   0.296909     0.000000  -0.000000   )
+ ( -0.001978   0.362873     0.362873   0.001978    -0.000000   0.000000   )
+     freq (    6) =      29.965572 [THz] =     999.543882 [cm-1]
+ (  0.297272   0.172963     0.172833  -0.297049     0.000000  -0.000000   )
+ ( -0.313651  -0.182493     0.182493  -0.313651     0.000000  -0.000000   )
+ ( -0.297264  -0.173307     0.173178  -0.297041    -0.000000  -0.000000   )
+ (  0.001537  -0.363051    -0.363051  -0.001537    -0.000000   0.000000   )
+     freq (    7) =      36.023609 [THz] =    1201.618252 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.000000   0.000000   )
+ (  0.379685   0.325329     0.325329  -0.379685     0.000000  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.000000  -0.000000   )
+ (  0.091901  -0.491482     0.491482   0.091901     0.000000   0.000000   )
+     freq (    8) =      36.080344 [THz] =    1203.510747 [cm-1]
+ (  0.000000   0.000000    -0.000000   0.000000     0.000000  -0.000000   )
+ (  0.410990   0.284758     0.284758  -0.410990    -0.000000   0.000000   )
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.000000  -0.000000   )
+ ( -0.041112   0.498307    -0.498307  -0.041112     0.000000   0.000000   )
+     freq (    9) =      36.810452 [THz] =    1227.864521 [cm-1]
+ (  0.367083   0.337356    -0.339303   0.369201    -0.000000   0.000000   )
+ ( -0.000873  -0.000802     0.000802  -0.000872     0.000000  -0.000000   )
+ ( -0.367007  -0.337442    -0.339389   0.369125    -0.000000   0.000000   )
+ (  0.000258  -0.001157    -0.001157  -0.000258    -0.000000   0.000000   )
+     freq (   10) =      36.810452 [THz] =    1227.864526 [cm-1]
+ (  0.370178   0.338240    -0.336299   0.368055     0.000000  -0.000000   )
+ (  0.000875   0.000800    -0.000800   0.000875    -0.000000   0.000000   )
+ (  0.370099   0.338323     0.336383  -0.367975    -0.000000   0.000000   )
+ (  0.000255  -0.001158    -0.001157  -0.000255    -0.000000   0.000000   )
+     freq (   11) =      40.294237 [THz] =    1344.071075 [cm-1]
+ ( -0.216279  -0.293789    -0.290793   0.214075     0.000000  -0.000000   )
+ ( -0.203864  -0.276924     0.276924  -0.203864    -0.000000   0.000000   )
+ (  0.216140   0.293916    -0.290921   0.213936     0.000000  -0.000000   )
+ (  0.138062  -0.314960    -0.314960  -0.138062     0.000000   0.000000   )
+     freq (   12) =      40.294237 [THz] =    1344.071080 [cm-1]
+ ( -0.251847  -0.258799    -0.261465   0.254439    -0.000000   0.000000   )
+ ( -0.239834  -0.246455     0.246455  -0.239834     0.000000  -0.000000   )
+ ( -0.251697  -0.258915     0.261580  -0.254291     0.000000  -0.000000   )
+ ( -0.093685   0.330863     0.330863   0.093685     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3167      0.5485      0.0000
+ **************************************************************************
+     freq (    1) =      16.245240 [THz] =     541.882887 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.199628   0.448373   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.509029   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.199628   0.448373   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.509029   0.000000   )
+     freq (    2) =      16.474536 [THz] =     549.531353 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.175021   0.393103   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.561104   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.175021  -0.393103   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.561104   0.000000   )
+     freq (    3) =      17.678277 [THz] =     589.683848 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.207041   0.465021   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.490805  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.207041   0.465021   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.490805  -0.000000   )
+     freq (    4) =      17.816727 [THz] =     594.302053 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.228222   0.512594   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.430305  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.228222  -0.512594   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.430305   0.000000   )
+     freq (    5) =      29.666624 [THz] =     989.572069 [cm-1]
+ ( -0.266078  -0.263242    -0.134545   0.279790     0.000000   0.000000   )
+ (  0.370184   0.142483    -0.214193   0.245570     0.000000  -0.000000   )
+ ( -0.016520  -0.373926     0.297703   0.088078     0.000000   0.000000   )
+ (  0.370589  -0.141428    -0.213493  -0.246179     0.000000   0.000000   )
+     freq (    6) =      29.672463 [THz] =     989.766839 [cm-1]
+ (  0.266807   0.262334     0.133465  -0.280109     0.000000   0.000000   )
+ ( -0.371656  -0.140560     0.213966  -0.245059     0.000000  -0.000000   )
+ ( -0.017820  -0.373748     0.297795   0.087133    -0.000000  -0.000000   )
+ (  0.371128  -0.141948    -0.214880  -0.244258    -0.000000   0.000000   )
+     freq (    7) =      35.671045 [THz] =    1189.857976 [cm-1]
+ (  0.036273   0.257506    -0.261951   0.047983     0.000000   0.000000   )
+ (  0.254306  -0.311509    -0.288545  -0.341301     0.000000  -0.000000   )
+ ( -0.244993  -0.087199    -0.099562   0.246998    -0.000000  -0.000000   )
+ ( -0.377041  -0.139821     0.075963  -0.440425    -0.000000   0.000000   )
+     freq (    8) =      35.694990 [THz] =    1190.656716 [cm-1]
+ (  0.025018   0.266705    -0.272839   0.039330    -0.000000  -0.000000   )
+ (  0.265907  -0.296215    -0.271178  -0.346795    -0.000000   0.000000   )
+ (  0.248794   0.099291     0.114753  -0.250638    -0.000000  -0.000000   )
+ (  0.367801   0.152226    -0.094693   0.429928    -0.000000   0.000000   )
+     freq (    9) =      37.415169 [THz] =    1248.035716 [cm-1]
+ (  0.106548  -0.374055     0.458752  -0.006446     0.000000   0.000000   )
+ (  0.169982  -0.156203    -0.092676  -0.276322     0.000000   0.000000   )
+ (  0.344014   0.181450     0.321654  -0.327160    -0.000000  -0.000000   )
+ ( -0.165249  -0.161202     0.100875  -0.273435    -0.000000   0.000000   )
+     freq (   10) =      37.424698 [THz] =    1248.353562 [cm-1]
+ ( -0.106383   0.370203    -0.451195  -0.000505     0.000000   0.000000   )
+ ( -0.176072   0.160464     0.092264   0.287738     0.000000   0.000000   )
+ (  0.337551   0.185544     0.317733  -0.320348     0.000000   0.000000   )
+ ( -0.167937  -0.168959     0.106355  -0.282833     0.000000   0.000000   )
+     freq (   11) =      40.306579 [THz] =    1344.482749 [cm-1]
+ ( -0.330358  -0.178783    -0.127076   0.325826     0.000000  -0.000000   )
+ ( -0.343709  -0.094743     0.128481  -0.304910    -0.000000   0.000000   )
+ (  0.055129   0.371565    -0.349636   0.008083     0.000000  -0.000000   )
+ (  0.283122  -0.216689    -0.233421  -0.234504     0.000000  -0.000000   )
+     freq (   12) =      40.352026 [THz] =    1345.998696 [cm-1]
+ (  0.353558   0.121565     0.079447  -0.343130     0.000000  -0.000000   )
+ (  0.354871   0.039093    -0.080979   0.319607    -0.000000   0.000000   )
+ (  0.107977   0.357942    -0.345914   0.066287    -0.000000   0.000000   )
+ (  0.247565  -0.257242    -0.266838  -0.193659    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.3000      0.5196      0.0000
+ **************************************************************************
+     freq (    1) =      15.446096 [THz] =     515.226301 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.152650   0.469808   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.505943   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.152650   0.469808   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.505943   0.000000   )
+     freq (    2) =      15.778916 [THz] =     526.328000 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.144899   0.445954   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.529272   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.144899  -0.445954   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.529272   0.000000   )
+     freq (    3) =      18.470608 [THz] =     616.113168 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.156345  -0.481181   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.493985   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.156345  -0.481181   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.493985   0.000000   )
+     freq (    4) =      18.550940 [THz] =     618.792762 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.163554  -0.503368   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.468904   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.163554   0.503368   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.468904   0.000000   )
+     freq (    5) =      28.948995 [THz] =     965.634520 [cm-1]
+ (  0.221090   0.323171     0.113294  -0.265325    -0.000000  -0.000000   )
+ ( -0.399953  -0.111530     0.230469  -0.194755    -0.000000   0.000000   )
+ (  0.012430   0.391364    -0.248117  -0.147211    -0.000000  -0.000000   )
+ ( -0.399568   0.112899     0.231135   0.193965    -0.000000   0.000000   )
+     freq (    6) =      28.954982 [THz] =     965.834238 [cm-1]
+ (  0.221823   0.322111     0.112739  -0.265375     0.000000   0.000000   )
+ ( -0.401657  -0.109287     0.230781  -0.193322     0.000000  -0.000000   )
+ ( -0.013277  -0.390877     0.248474   0.146269    -0.000000  -0.000000   )
+ (  0.400691  -0.112779    -0.232455  -0.191305    -0.000000   0.000000   )
+     freq (    7) =      35.041884 [THz] =    1168.871428 [cm-1]
+ ( -0.008956   0.300471    -0.330579   0.052675    -0.000000  -0.000000   )
+ (  0.200996  -0.289127    -0.257488  -0.327545    -0.000000   0.000000   )
+ (  0.281812   0.104617     0.173045  -0.286553    -0.000000  -0.000000   )
+ (  0.323489   0.139098    -0.045323   0.414164    -0.000000   0.000000   )
+     freq (    8) =      35.049320 [THz] =    1169.119458 [cm-1]
+ ( -0.004593  -0.297095     0.323238  -0.064238    -0.000000  -0.000000   )
+ ( -0.187680   0.300124     0.272413   0.321865    -0.000000   0.000000   )
+ (  0.282229   0.092915     0.157640  -0.289411     0.000000   0.000000   )
+ (  0.329757   0.128681    -0.026329   0.420848     0.000000   0.000000   )
+     freq (    9) =      38.584407 [THz] =    1287.037278 [cm-1]
+ ( -0.154994   0.292286    -0.439974   0.016775    -0.000000  -0.000000   )
+ ( -0.152618   0.205845     0.098802   0.348225    -0.000000   0.000000   )
+ ( -0.303531  -0.131618    -0.354218   0.261512     0.000000   0.000000   )
+ (  0.161872   0.198650    -0.082773   0.352379     0.000000   0.000000   )
+     freq (   10) =      38.600022 [THz] =    1287.558133 [cm-1]
+ (  0.151668  -0.292568     0.432987  -0.009279    -0.000000  -0.000000   )
+ (  0.153144  -0.209317    -0.095897  -0.356894    -0.000000   0.000000   )
+ ( -0.299143  -0.138250    -0.347844   0.258009    -0.000000  -0.000000   )
+ (  0.159620   0.204422    -0.084681   0.359720    -0.000000   0.000000   )
+     freq (   11) =      40.388661 [THz] =    1347.220709 [cm-1]
+ (  0.377917   0.080478    -0.007970  -0.338134    -0.000000   0.000000   )
+ (  0.358705  -0.084236    -0.010629   0.316900     0.000000  -0.000000   )
+ ( -0.195861  -0.333071     0.323301  -0.099371    -0.000000   0.000000   )
+ ( -0.188557   0.316562     0.305333   0.085499    -0.000000   0.000000   )
+     freq (   12) =      40.478846 [THz] =    1350.228964 [cm-1]
+ (  0.373340   0.091296     0.012722  -0.342029     0.000000  -0.000000   )
+ (  0.362205  -0.071736    -0.027747   0.313095    -0.000000   0.000000   )
+ (  0.175652   0.341853    -0.329683   0.091950    -0.000000   0.000000   )
+ (  0.205132  -0.307017    -0.299805  -0.094423    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2833      0.4907      0.0000
+ **************************************************************************
+     freq (    1) =      14.580604 [THz] =     486.356601 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.102931   0.484254   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.504879   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.102931   0.484254   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.504879   0.000000   )
+     freq (    2) =      15.009214 [THz] =     500.653489 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.100032   0.470615   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.518184   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000    -0.100032  -0.470615   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.518184   0.000000   )
+     freq (    3) =      19.315031 [THz] =     644.280072 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.104970   0.493847   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.495073  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.104970   0.493847   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.495073   0.000000   )
+     freq (    4) =      19.351213 [THz] =     645.486987 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.107737   0.506861   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.481129  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.107737  -0.506861   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.481129   0.000000   )
+     freq (    5) =      27.996846 [THz] =     933.874272 [cm-1]
+ ( -0.173069  -0.362054    -0.105366   0.254309     0.000000   0.000000   )
+ (  0.415643   0.088485    -0.238355   0.160582     0.000000  -0.000000   )
+ (  0.004712  -0.401265     0.202566   0.186392     0.000000   0.000000   )
+ (  0.414242  -0.094829    -0.240782  -0.156920     0.000000   0.000000   )
+     freq (    6) =      27.999517 [THz] =     933.963365 [cm-1]
+ (  0.173965   0.361008     0.105192  -0.254279     0.000000   0.000000   )
+ ( -0.417200  -0.086112     0.238797  -0.158717     0.000000  -0.000000   )
+ (  0.004114  -0.400716     0.203255   0.185501    -0.000000  -0.000000   )
+ (  0.415403  -0.094400    -0.241909  -0.153932    -0.000000   0.000000   )
+     freq (    7) =      34.318658 [THz] =    1144.747198 [cm-1]
+ ( -0.032067   0.299428    -0.352411   0.075782    -0.000000  -0.000000   )
+ (  0.138478  -0.298144    -0.273436  -0.310717    -0.000000   0.000000   )
+ (  0.289163   0.084085     0.203976  -0.297203    -0.000000  -0.000000   )
+ (  0.306042   0.120017     0.016793   0.413559    -0.000000   0.000000   )
+     freq (    8) =      34.354610 [THz] =    1145.946428 [cm-1]
+ (  0.017478  -0.298527     0.345470  -0.090184    -0.000000  -0.000000   )
+ ( -0.122170   0.305837     0.288284   0.302531    -0.000000   0.000000   )
+ (  0.290447   0.071161     0.187871  -0.303624     0.000000   0.000000   )
+ (  0.310746   0.109081     0.038340   0.416128     0.000000   0.000000   )
+     freq (    9) =      39.898015 [THz] =    1330.854530 [cm-1]
+ ( -0.185386   0.244470    -0.431956  -0.000051    -0.000000  -0.000000   )
+ ( -0.115207   0.228217     0.090457   0.381763    -0.000000   0.000000   )
+ ( -0.281391  -0.122280    -0.376528   0.211690     0.000000   0.000000   )
+ (  0.135941   0.216508    -0.054545   0.388523     0.000000   0.000000   )
+     freq (   10) =      39.919548 [THz] =    1331.572803 [cm-1]
+ ( -0.178122   0.251608    -0.422183  -0.011998     0.000000   0.000000   )
+ ( -0.108132   0.232601     0.083053   0.392289     0.000000  -0.000000   )
+ (  0.276559   0.136196     0.365350  -0.211899     0.000000   0.000000   )
+ ( -0.125991  -0.223432     0.052120  -0.397582     0.000000   0.000000   )
+     freq (   11) =      40.543226 [THz] =    1352.376466 [cm-1]
+ (  0.380138   0.106525    -0.011009  -0.331793    -0.000000   0.000000   )
+ (  0.354334  -0.138416    -0.019161   0.298095     0.000000  -0.000000   )
+ ( -0.199603  -0.340604     0.323705  -0.073644    -0.000000   0.000000   )
+ ( -0.193760   0.327366     0.297282   0.029175    -0.000000   0.000000   )
+     freq (   12) =      40.672179 [THz] =    1356.677845 [cm-1]
+ ( -0.360718  -0.152075    -0.052193   0.336426    -0.000000   0.000000   )
+ ( -0.370593   0.090612     0.071562  -0.283158     0.000000  -0.000000   )
+ ( -0.135159  -0.367391     0.338487  -0.036512     0.000000   0.000000   )
+ ( -0.247271   0.290528     0.285162   0.063107     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2667      0.4619      0.0000
+ **************************************************************************
+     freq (    1) =      13.663601 [THz] =     455.768681 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000    -0.051812  -0.492961   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.504287  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.051812  -0.492961   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.504287   0.000000   )
+     freq (    2) =      14.184687 [THz] =     473.150228 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.050896  -0.484241   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.512757  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.050896   0.484241   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.512757   0.000000   )
+     freq (    3) =      20.181684 [THz] =     673.188515 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.052712   0.501524   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.495676  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.052712   0.501524   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.495676   0.000000   )
+     freq (    4) =      20.181935 [THz] =     673.196904 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.053598   0.509948   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.486908  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.053598  -0.509948   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.486908   0.000000   )
+     freq (    5) =      26.893971 [THz] =     897.086300 [cm-1]
+ ( -0.133518  -0.384379    -0.100578   0.247348    -0.000000  -0.000000   )
+ (  0.427053   0.059617    -0.240030   0.139949    -0.000000   0.000000   )
+ ( -0.020348   0.406399    -0.165917  -0.209209    -0.000000   0.000000   )
+ ( -0.421399   0.091387     0.249823   0.121606     0.000000   0.000000   )
+     freq (    6) =      26.897799 [THz] =     897.214012 [cm-1]
+ ( -0.132184  -0.385243    -0.100733   0.247243     0.000000   0.000000   )
+ (  0.425898   0.062312    -0.239745   0.141736     0.000000  -0.000000   )
+ (  0.021148  -0.406740     0.164839   0.210010    -0.000000   0.000000   )
+ (  0.420575  -0.091588    -0.248965  -0.124834     0.000000   0.000000   )
+     freq (    7) =      33.520481 [THz] =    1118.122901 [cm-1]
+ (  0.009577   0.294272    -0.334421   0.174006    -0.000000  -0.000000   )
+ (  0.012280  -0.312015    -0.350638  -0.225268     0.000000   0.000000   )
+ (  0.294406  -0.003558     0.158916  -0.341850    -0.000000  -0.000000   )
+ (  0.309802   0.039080     0.164684   0.382847    -0.000000   0.000000   )
+     freq (    8) =      33.583879 [THz] =    1120.237621 [cm-1]
+ ( -0.014663  -0.292266     0.329302  -0.178339    -0.000000  -0.000000   )
+ ( -0.003493   0.312253     0.355984   0.223343    -0.000000   0.000000   )
+ (  0.292515  -0.008313     0.151952  -0.342279     0.000000   0.000000   )
+ (  0.310038   0.037294     0.174967   0.382091     0.000000   0.000000   )
+     freq (    9) =      40.768866 [THz] =    1359.902980 [cm-1]
+ (  0.234997  -0.336791    -0.295566   0.002784     0.000000   0.000000   )
+ ( -0.091921  -0.373872     0.305947   0.046340    -0.000000   0.000000   )
+ ( -0.373466   0.170807     0.055730  -0.290278     0.000000   0.000000   )
+ (  0.310918   0.227068     0.073367  -0.300613    -0.000000   0.000000   )
+     freq (   10) =      40.913790 [THz] =    1364.737130 [cm-1]
+ (  0.079798  -0.405700    -0.229848   0.155403    -0.000000  -0.000000   )
+ ( -0.228459  -0.301468     0.302794  -0.131526    -0.000000  -0.000000   )
+ (  0.238953  -0.337433     0.045817   0.273644     0.000000   0.000000   )
+ ( -0.376457  -0.036829     0.046454   0.326842    -0.000000   0.000000   )
+     freq (   11) =      41.225121 [THz] =    1375.122008 [cm-1]
+ ( -0.224399   0.172581    -0.447748   0.024761    -0.000000  -0.000000   )
+ ( -0.118703   0.232887     0.122759   0.367930    -0.000000   0.000000   )
+ ( -0.275562  -0.064848    -0.418210   0.161840     0.000000   0.000000   )
+ (  0.165664   0.202194    -0.041421   0.385651     0.000000   0.000000   )
+     freq (   12) =      41.268590 [THz] =    1376.571992 [cm-1]
+ ( -0.238208   0.140443    -0.455221   0.049005     0.000000   0.000000   )
+ ( -0.151924   0.225979     0.141002   0.346230     0.000000  -0.000000   )
+ (  0.275129   0.027782     0.433905  -0.146130     0.000000   0.000000   )
+ ( -0.198073  -0.186855     0.061070  -0.368819     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2500      0.4330      0.0000
+ **************************************************************************
+     freq (    1) =      12.711599 [THz] =     424.013289 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.000000  -0.496113   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.503857  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.000000  -0.496113   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.503857   0.000000   )
+     freq (    2) =      13.322923 [THz] =     444.404872 [cm-1]
+ (  0.000000   0.000000     0.000000  -0.000000     0.000000  -0.490208   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.509604  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.000000   0.490208   )
+ (  0.000000   0.000000    -0.000000  -0.000000    -0.509604   0.000000   )
+     freq (    3) =      21.013883 [THz] =     700.947679 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.000000   0.509604   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.490208   0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.000000  -0.509604   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.490208   0.000000   )
+     freq (    4) =      21.042733 [THz] =     701.910034 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.000000  -0.503857   )
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.496113  -0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.000000  -0.503857   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.496113   0.000000   )
+     freq (    5) =      25.673445 [THz] =     856.373962 [cm-1]
+ ( -0.089616   0.401431     0.195748  -0.173598     0.000000   0.000000   )
+ ( -0.373856  -0.220624     0.271675  -0.010840    -0.000000  -0.000000   )
+ (  0.214332  -0.351055     0.020264   0.260851     0.000000   0.000000   )
+ (  0.422206   0.100925    -0.187931  -0.196487     0.000000   0.000000   )
+     freq (    6) =      25.686951 [THz] =     856.824449 [cm-1]
+ (  0.075593  -0.404342    -0.188918   0.180707     0.000000   0.000000   )
+ (  0.380485   0.208266    -0.271628   0.022872    -0.000000  -0.000000   )
+ (  0.201405  -0.358668     0.028993   0.259817    -0.000000  -0.000000   )
+ (  0.425479   0.084326    -0.193695  -0.191800    -0.000000   0.000000   )
+     freq (    7) =      32.620015 [THz] =    1088.086566 [cm-1]
+ (  0.258892   0.121127     0.053047   0.385577     0.000000  -0.000000   )
+ ( -0.289996  -0.073304    -0.328912   0.262994     0.000000  -0.000000   )
+ (  0.083505  -0.273356    -0.250731  -0.297687     0.000000  -0.000000   )
+ (  0.139848  -0.264412     0.415600  -0.068014    -0.000000   0.000000   )
+     freq (    8) =      32.708961 [THz] =    1091.053486 [cm-1]
+ ( -0.254215  -0.126582    -0.044542  -0.384660     0.000000  -0.000000   )
+ (  0.289080   0.076096     0.338898  -0.255332     0.000000  -0.000000   )
+ (  0.088533  -0.269834    -0.242428  -0.301953    -0.000000   0.000000   )
+ (  0.148955  -0.259172     0.419800  -0.061765     0.000000   0.000000   )
+     freq (    9) =      41.073935 [THz] =    1370.078993 [cm-1]
+ ( -0.375824   0.178940     0.262871   0.130846     0.000000  -0.000000   )
+ ( -0.033543   0.394456    -0.227156  -0.179427     0.000000  -0.000000   )
+ (  0.415566   0.023846    -0.194038   0.220390    -0.000000  -0.000000   )
+ ( -0.179951  -0.352616    -0.142627   0.251895     0.000000   0.000000   )
+     freq (   10) =      41.233418 [THz] =    1375.398783 [cm-1]
+ (  0.377122  -0.176814    -0.262588  -0.126693     0.000000  -0.000000   )
+ (  0.038758  -0.392256     0.234857   0.176033     0.000000  -0.000000   )
+ (  0.415969   0.021312    -0.195304   0.216471     0.000000   0.000000   )
+ ( -0.184013  -0.348577    -0.150994   0.251687    -0.000000   0.000000   )
+     freq (   11) =      42.494210 [THz] =    1417.454281 [cm-1]
+ ( -0.033316  -0.275319     0.195714  -0.396325    -0.000000  -0.000000   )
+ ( -0.184382  -0.177429    -0.398576  -0.058069    -0.000000  -0.000000   )
+ (  0.186151  -0.205568     0.069004  -0.436595     0.000000  -0.000000   )
+ ( -0.252985   0.038426    -0.358968  -0.182693    -0.000000   0.000000   )
+     freq (   12) =      42.551232 [THz] =    1419.356321 [cm-1]
+ ( -0.029558  -0.273384     0.189252  -0.399189     0.000000   0.000000   )
+ ( -0.183150  -0.182961    -0.399555  -0.050563     0.000000   0.000000   )
+ ( -0.178676   0.209015    -0.069028   0.436352     0.000000  -0.000000   )
+ (  0.254449  -0.047692     0.358390   0.183731    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2333      0.4041      0.0000
+ **************************************************************************
+     freq (    1) =      11.741616 [THz] =     391.658157 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.051897  -0.493765   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.503491  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.051897  -0.493765   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.503491   0.000000   )
+     freq (    2) =      12.443840 [THz] =     415.081836 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.051462   0.489632   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.507555   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.051462  -0.489632   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.507555   0.000000   )
+     freq (    3) =      21.821843 [THz] =     727.898344 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.053054   0.504774   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.492329   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.053054  -0.504774   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.492329   0.000000   )
+     freq (    4) =      21.874088 [THz] =     729.641030 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.052629  -0.500732   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.496485  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.052629  -0.500732   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.496485   0.000000   )
+     freq (    5) =      24.351006 [THz] =     812.262116 [cm-1]
+ (  0.027996  -0.413750    -0.148783   0.210666    -0.000000   0.000000   )
+ (  0.423954   0.100790    -0.258273   0.070072     0.000000   0.000000   )
+ ( -0.142848   0.389317    -0.050145  -0.252986    -0.000000  -0.000000   )
+ ( -0.435648   0.010289     0.238018   0.122323    -0.000000   0.000000   )
+     freq (    6) =      24.376750 [THz] =     813.120863 [cm-1]
+ ( -0.021530   0.413774     0.144784  -0.212971    -0.000000   0.000000   )
+ ( -0.425350  -0.095171     0.257260  -0.076457     0.000000   0.000000   )
+ ( -0.136152   0.391325    -0.053747  -0.251854     0.000000   0.000000   )
+ ( -0.435469   0.018627     0.239734   0.120649     0.000000   0.000000   )
+     freq (    7) =      31.586350 [THz] =    1053.607240 [cm-1]
+ (  0.275846  -0.028179     0.286005   0.277754     0.000000  -0.000000   )
+ ( -0.244930   0.152124    -0.087560   0.416376    -0.000000  -0.000000   )
+ ( -0.109765  -0.254631    -0.381893  -0.114473     0.000000  -0.000000   )
+ ( -0.046636  -0.284530     0.255895  -0.339932    -0.000000   0.000000   )
+     freq (    8) =      31.697693 [THz] =    1057.321232 [cm-1]
+ ( -0.273768   0.029806    -0.288282  -0.272893     0.000000  -0.000000   )
+ (  0.241029  -0.157918     0.086214  -0.419666    -0.000000  -0.000000   )
+ ( -0.112775  -0.251236    -0.381231  -0.110634    -0.000000   0.000000   )
+ ( -0.045851  -0.284483     0.251844  -0.346594     0.000000   0.000000   )
+     freq (    9) =      41.451613 [THz] =    1382.676981 [cm-1]
+ (  0.398838  -0.138745    -0.254998  -0.127838    -0.000000   0.000000   )
+ (  0.004238  -0.403450     0.207887   0.185215    -0.000000   0.000000   )
+ ( -0.420254  -0.041339     0.217905  -0.184075     0.000000   0.000000   )
+ (  0.177917   0.362126     0.107614  -0.256790    -0.000000   0.000000   )
+     freq (   10) =      41.606272 [THz] =    1387.835859 [cm-1]
+ ( -0.406524   0.114546     0.246743   0.143909    -0.000000   0.000000   )
+ ( -0.031748   0.400745    -0.200368  -0.195637    -0.000000   0.000000   )
+ ( -0.416948  -0.067356     0.228688  -0.171154    -0.000000  -0.000000   )
+ (  0.157650   0.369799     0.127679  -0.249237     0.000000   0.000000   )
+     freq (   11) =      43.671433 [THz] =    1456.722219 [cm-1]
+ ( -0.267675   0.047087    -0.416137  -0.146186    -0.000000   0.000000   )
+ ( -0.120912   0.222852     0.015422   0.408745     0.000000   0.000000   )
+ ( -0.226548  -0.150144    -0.439882  -0.032314     0.000000  -0.000000   )
+ (  0.073812   0.242558    -0.097001   0.397368    -0.000000   0.000000   )
+     freq (   12) =      43.749540 [THz] =    1459.327564 [cm-1]
+ (  0.266410  -0.045668     0.415099   0.144346    -0.000000   0.000000   )
+ (  0.124102  -0.223341    -0.017694  -0.410124     0.000000   0.000000   )
+ ( -0.226281  -0.147841    -0.438268  -0.032623    -0.000000   0.000000   )
+ (  0.077375   0.243507    -0.098629   0.398481     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2167      0.3753      0.0000
+ **************************************************************************
+     freq (    1) =      10.769900 [THz] =     359.245194 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000     0.103297  -0.485976   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.503147  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.103297  -0.485976   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.503147   0.000000   )
+     freq (    2) =      11.569879 [THz] =     385.929614 [cm-1]
+ ( -0.000000  -0.000000    -0.000000   0.000000    -0.102671   0.483029   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.506105   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.102671  -0.483029   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.506105   0.000000   )
+     freq (    3) =      22.585147 [THz] =     753.359429 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.105225   0.495045   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.493820  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.105225  -0.495045   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.493820   0.000000   )
+     freq (    4) =      22.656363 [THz] =     755.734926 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.104610  -0.492152   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.496833   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.104610  -0.492152   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.496833   0.000000   )
+     freq (    5) =      22.932293 [THz] =     764.938940 [cm-1]
+ ( -0.086128   0.408431     0.162117  -0.197129     0.000000  -0.000000   )
+ ( -0.424863  -0.101115     0.258970  -0.053150    -0.000000  -0.000000   )
+ (  0.183462  -0.374935     0.006469   0.255147    -0.000000   0.000000   )
+ (  0.436707   0.004529    -0.238457  -0.114143     0.000000   0.000000   )
+     freq (    6) =      22.971265 [THz] =     766.238933 [cm-1]
+ ( -0.066881   0.411306     0.152076  -0.204308    -0.000000   0.000000   )
+ ( -0.429404  -0.082205     0.256530  -0.067322     0.000000   0.000000   )
+ ( -0.165142   0.382589    -0.018117  -0.254048    -0.000000   0.000000   )
+ ( -0.436863   0.017200     0.243610   0.104853     0.000000   0.000000   )
+     freq (    7) =      30.391926 [THz] =    1013.765525 [cm-1]
+ (  0.269598  -0.006679     0.302744   0.270615     0.000000  -0.000000   )
+ ( -0.206448   0.188508    -0.056452   0.425492    -0.000000  -0.000000   )
+ ( -0.127385  -0.237699    -0.384851  -0.129524     0.000000  -0.000000   )
+ ( -0.054335  -0.274233     0.207015  -0.375998    -0.000000   0.000000   )
+     freq (    8) =      30.521325 [THz] =    1018.081814 [cm-1]
+ ( -0.264666   0.041297    -0.335704  -0.225595     0.000000  -0.000000   )
+ (  0.176179  -0.216991     0.000949  -0.431892    -0.000000  -0.000000   )
+ ( -0.158396  -0.216020    -0.397060  -0.077033    -0.000000   0.000000   )
+ ( -0.087268  -0.265534     0.153050  -0.403865     0.000000   0.000000   )
+     freq (    9) =      41.895443 [THz] =    1397.481559 [cm-1]
+ (  0.418617  -0.084663    -0.244579  -0.131064    -0.000000   0.000000   )
+ ( -0.012008  -0.409339     0.186609   0.195114    -0.000000   0.000000   )
+ ( -0.421121  -0.071173     0.240243  -0.138852     0.000000   0.000000   )
+ (  0.167612   0.373643     0.082906  -0.256941    -0.000000   0.000000   )
+     freq (   10) =      42.032783 [THz] =    1402.062734 [cm-1]
+ (  0.408819  -0.124358    -0.255837  -0.110904     0.000000  -0.000000   )
+ ( -0.047553  -0.405279     0.205865   0.175376     0.000000  -0.000000   )
+ (  0.425971   0.033867    -0.226129   0.163149     0.000000   0.000000   )
+ ( -0.202061  -0.354519    -0.061751   0.263294    -0.000000   0.000000   )
+     freq (   11) =      44.729011 [THz] =    1491.999205 [cm-1]
+ (  0.266675  -0.022094     0.411453   0.158042     0.000000  -0.000000   )
+ (  0.095691  -0.232987    -0.032246  -0.411881    -0.000000  -0.000000   )
+ (  0.222991   0.147916     0.436674   0.059886    -0.000000   0.000000   )
+ ( -0.075771  -0.240206     0.066748  -0.407714     0.000000   0.000000   )
+     freq (   12) =      44.828627 [THz] =    1495.322029 [cm-1]
+ ( -0.265622   0.021755    -0.409018  -0.158734     0.000000  -0.000000   )
+ ( -0.097753   0.233731     0.031804   0.413862    -0.000000  -0.000000   )
+ (  0.221409   0.148345     0.434545   0.060527     0.000000  -0.000000   )
+ ( -0.076420  -0.241549     0.068755  -0.409348    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.2000      0.3464      0.0000
+ **************************************************************************
+     freq (    1) =       9.810656 [THz] =     327.248255 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.153636  -0.472842   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.502809  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.153636  -0.472842   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.502809   0.000000   )
+     freq (    2) =      10.725471 [THz] =     357.763216 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.152948   0.470724   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.505001   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.152948  -0.470724   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.505001   0.000000   )
+     freq (    3) =      21.422594 [THz] =     714.580809 [cm-1]
+ (  0.131429  -0.398534    -0.170863   0.186945     0.000000  -0.000000   )
+ (  0.427698   0.090980    -0.257926   0.045006    -0.000000  -0.000000   )
+ ( -0.213687   0.361166     0.028390  -0.251668    -0.000000   0.000000   )
+ ( -0.437219  -0.006514     0.241435   0.101294     0.000000   0.000000   )
+     freq (    4) =      21.473098 [THz] =     716.265457 [cm-1]
+ (  0.136776  -0.395764    -0.172757   0.184322    -0.000000   0.000000   )
+ (  0.426852   0.098073    -0.259112   0.043392     0.000000   0.000000   )
+ (  0.218000  -0.357509    -0.032073   0.250581    -0.000000   0.000000   )
+ (  0.437824   0.011458    -0.240109  -0.106630     0.000000   0.000000   )
+     freq (    5) =      23.288063 [THz] =     776.806175 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.156054   0.480284   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.494949  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.156054  -0.480284   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.494949   0.000000   )
+     freq (    6) =      23.375240 [THz] =     779.714085 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.155376  -0.478200   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497175   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.155376  -0.478200   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.497175   0.000000   )
+     freq (    7) =      29.016534 [THz] =     967.887384 [cm-1]
+ (  0.262578   0.020673     0.308978   0.272187     0.000000  -0.000000   )
+ ( -0.171482   0.211934    -0.035504   0.430685    -0.000000  -0.000000   )
+ ( -0.136294  -0.225385    -0.381888  -0.153997     0.000000  -0.000000   )
+ ( -0.054994  -0.267017     0.166259  -0.398883    -0.000000   0.000000   )
+     freq (    8) =      29.158395 [THz] =     972.619371 [cm-1]
+ ( -0.261774   0.005395    -0.334911  -0.236953     0.000000  -0.000000   )
+ (  0.145557  -0.230579    -0.007380  -0.434424    -0.000000  -0.000000   )
+ ( -0.159155  -0.207905    -0.394159  -0.113804    -0.000000   0.000000   )
+ ( -0.079170  -0.260933     0.122366  -0.416900     0.000000   0.000000   )
+     freq (    9) =      42.393008 [THz] =    1414.078525 [cm-1]
+ ( -0.429901   0.025507     0.233758   0.137203     0.000000  -0.000000   )
+ (  0.022812   0.413643    -0.165877  -0.204771     0.000000  -0.000000   )
+ (  0.417390   0.106068    -0.255426   0.090691    -0.000000  -0.000000   )
+ ( -0.155059  -0.384159    -0.063183   0.255840     0.000000   0.000000   )
+     freq (   10) =      42.506208 [THz] =    1417.854496 [cm-1]
+ ( -0.401058   0.158053     0.265408   0.062917    -0.000000   0.000000   )
+ (  0.146930   0.385846    -0.221141  -0.142840    -0.000000   0.000000   )
+ ( -0.430379   0.024538     0.214622  -0.168337    -0.000000  -0.000000   )
+ (  0.264978   0.316626    -0.016674  -0.262733     0.000000   0.000000   )
+     freq (   11) =      45.646504 [THz] =    1522.603474 [cm-1]
+ (  0.264086   0.011659     0.399054   0.186637     0.000000  -0.000000   )
+ (  0.081090  -0.237162    -0.034095  -0.414802    -0.000000  -0.000000   )
+ (  0.213548   0.155802     0.428232   0.103415    -0.000000   0.000000   )
+ ( -0.070072  -0.240648     0.053179  -0.412790     0.000000   0.000000   )
+     freq (   12) =      45.763807 [THz] =    1526.516290 [cm-1]
+ (  0.263347   0.010430     0.396294   0.187559    -0.000000   0.000000   )
+ (  0.081658  -0.238166    -0.033163  -0.416919     0.000000   0.000000   )
+ ( -0.211527  -0.157215    -0.426212  -0.102812    -0.000000   0.000000   )
+ (  0.069549   0.241980    -0.054136   0.414718     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1833      0.3175      0.0000
+ **************************************************************************
+     freq (    1) =       8.874937 [THz] =     296.036033 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.202358  -0.454504   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.502471  -0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.202358  -0.454504   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.502471   0.000000   )
+     freq (    2) =       9.936025 [THz] =     331.430122 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.201685   0.452991   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.504105   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.201685  -0.452991   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.504105   0.000000   )
+     freq (    3) =      19.830328 [THz] =     661.468551 [cm-1]
+ (  0.204370  -0.368638    -0.193494   0.161142     0.000000  -0.000000   )
+ (  0.422120   0.115164    -0.259170   0.017760    -0.000000  -0.000000   )
+ ( -0.269756   0.323871     0.080243  -0.238679    -0.000000   0.000000   )
+ ( -0.435508  -0.042202     0.235982   0.108614     0.000000   0.000000   )
+     freq (    4) =      19.886804 [THz] =     663.352372 [cm-1]
+ (  0.204680  -0.367391    -0.192937   0.160765    -0.000000   0.000000   )
+ (  0.422376   0.117089    -0.259949   0.019368     0.000000   0.000000   )
+ (  0.269429  -0.322921    -0.080790   0.237788    -0.000000   0.000000   )
+ (  0.436310   0.041771    -0.235814  -0.111086     0.000000   0.000000   )
+     freq (    5) =      23.919842 [THz] =     797.880042 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.205038   0.460523   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.495861  -0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.205038  -0.460523   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.495861   0.000000   )
+     freq (    6) =      24.021377 [THz] =     801.266883 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.204373  -0.459030   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497516   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.204373  -0.459030   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.497516   0.000000   )
+     freq (    7) =      27.449250 [THz] =     915.608436 [cm-1]
+ (  0.253287   0.051479     0.306456   0.281519     0.000000  -0.000000   )
+ ( -0.141852   0.226512    -0.022818   0.433678    -0.000000  -0.000000   )
+ ( -0.138755  -0.218063    -0.372581  -0.185342     0.000000  -0.000000   )
+ ( -0.051165  -0.262320     0.134256  -0.413005    -0.000000   0.000000   )
+     freq (    8) =      27.596286 [THz] =     920.513001 [cm-1]
+ ( -0.253644  -0.043151    -0.315551  -0.269178     0.000000  -0.000000   )
+ (  0.130979  -0.233082     0.009462  -0.436121    -0.000000  -0.000000   )
+ ( -0.146453  -0.211539    -0.377438  -0.171958    -0.000000   0.000000   )
+ ( -0.057296  -0.261151     0.118162  -0.419915     0.000000   0.000000   )
+     freq (    9) =      42.927687 [THz] =    1431.913496 [cm-1]
+ ( -0.431178  -0.041411     0.220471   0.148793     0.000000  -0.000000   )
+ (  0.024064   0.417265    -0.143345  -0.215376     0.000000   0.000000   )
+ (  0.406522   0.149564    -0.263176   0.038533    -0.000000  -0.000000   )
+ ( -0.136173  -0.395153    -0.050833   0.253674     0.000000  -0.000000   )
+     freq (   10) =      43.016454 [THz] =    1434.874466 [cm-1]
+ (  0.393004  -0.183406    -0.266808  -0.021998     0.000000  -0.000000   )
+ ( -0.229759  -0.347672     0.231627   0.113683     0.000000  -0.000000   )
+ (  0.427564  -0.072653    -0.206947   0.169833     0.000000   0.000000   )
+ ( -0.315474  -0.272288     0.083164   0.244251    -0.000000   0.000000   )
+     freq (   11) =      46.409122 [THz] =    1548.041666 [cm-1]
+ (  0.257672   0.046011     0.382102   0.218668     0.000000  -0.000000   )
+ (  0.069994  -0.239752    -0.032705  -0.417397    -0.000000  -0.000000   )
+ (  0.202074   0.166366     0.414202   0.149180    -0.000000   0.000000   )
+ ( -0.063321  -0.241600     0.044264  -0.416330     0.000000   0.000000   )
+     freq (   12) =      46.536161 [THz] =    1552.279228 [cm-1]
+ (  0.257607   0.043295     0.379545   0.219173    -0.000000   0.000000   )
+ (  0.069074  -0.240879    -0.032019  -0.419349     0.000000   0.000000   )
+ ( -0.199893  -0.168162    -0.412867  -0.147081    -0.000000   0.000000   )
+ (  0.062266   0.242728    -0.043810   0.418282     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1667      0.2887      0.0000
+ **************************************************************************
+     freq (    1) =       7.969837 [THz] =     265.845140 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.248928  -0.431157   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.502134  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.248928  -0.431157   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.502134   0.000000   )
+     freq (    2) =       9.226272 [THz] =     307.755304 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.248320   0.430102   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.503338   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.248320  -0.430102   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.503338   0.000000   )
+     freq (    3) =      18.168527 [THz] =     606.036827 [cm-1]
+ ( -0.345396   0.244261     0.240143  -0.072060    -0.000000   0.000000   )
+ ( -0.364299  -0.242572     0.246908   0.075223     0.000000   0.000000   )
+ (  0.380668  -0.184536    -0.179050   0.175506     0.000000  -0.000000   )
+ (  0.395978   0.186431    -0.192038  -0.172462    -0.000000   0.000000   )
+     freq (    4) =      18.220340 [THz] =     607.765130 [cm-1]
+ (  0.330373  -0.263001    -0.234740   0.086318    -0.000000   0.000000   )
+ (  0.377566   0.222559    -0.252156  -0.058811     0.000000   0.000000   )
+ (  0.368477  -0.206254    -0.168742   0.184607    -0.000000   0.000000   )
+ (  0.407156   0.162212    -0.200904  -0.163337     0.000000   0.000000   )
+     freq (    5) =      24.474465 [THz] =     816.380292 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.251669   0.435904   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.496639  -0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000     0.251669  -0.435904   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.496639   0.000000   )
+     freq (    6) =      24.590008 [THz] =     820.234371 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.251067  -0.434861   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497857   0.000000   )
+ (  0.000000  -0.000000     0.000000   0.000000     0.251067  -0.434861   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.497857   0.000000   )
+     freq (    7) =      25.688703 [THz] =     856.882906 [cm-1]
+ (  0.236818   0.093975     0.283243   0.309373     0.000000  -0.000000   )
+ ( -0.127890   0.230062    -0.035247   0.434305    -0.000000  -0.000000   )
+ ( -0.126887  -0.220938    -0.346712  -0.236071     0.000000  -0.000000   )
+ ( -0.033420  -0.261089     0.128379  -0.416392    -0.000000   0.000000   )
+     freq (    8) =      25.831160 [THz] =     861.634735 [cm-1]
+ (  0.240888   0.080776     0.298925   0.292638    -0.000000   0.000000   )
+ ( -0.112407   0.238041    -0.013394   0.437009     0.000000   0.000000   )
+ (  0.138433   0.213044     0.358078   0.216273     0.000000  -0.000000   )
+ (  0.044604   0.259440    -0.104044   0.424654    -0.000000   0.000000   )
+     freq (    9) =      43.480569 [THz] =    1450.355678 [cm-1]
+ ( -0.414169  -0.132499     0.196075   0.173955     0.000000  -0.000000   )
+ ( -0.002715   0.420775    -0.108463  -0.231040     0.000000   0.000000   )
+ (  0.376891   0.216899    -0.260643  -0.027770    -0.000000  -0.000000   )
+ ( -0.092574  -0.410474    -0.056583   0.248882     0.000000  -0.000000   )
+     freq (   10) =      43.550859 [THz] =    1452.700299 [cm-1]
+ (  0.367496  -0.233350    -0.261521   0.033463     0.000000  -0.000000   )
+ ( -0.319409  -0.272513     0.245361   0.067037     0.000000  -0.000000   )
+ (  0.410232  -0.145655    -0.187501   0.185355     0.000000   0.000000   )
+ ( -0.372194  -0.194312     0.153936   0.202484    -0.000000   0.000000   )
+     freq (   11) =      47.008177 [THz] =    1568.024005 [cm-1]
+ ( -0.247352  -0.078815    -0.361465  -0.250563    -0.000000   0.000000   )
+ ( -0.060451   0.241730     0.030823   0.419677     0.000000   0.000000   )
+ ( -0.189362  -0.177586    -0.394946  -0.193537     0.000000  -0.000000   )
+ (  0.056919   0.242586    -0.036940   0.419182    -0.000000   0.000000   )
+     freq (   12) =      47.133378 [THz] =    1572.200262 [cm-1]
+ ( -0.248113  -0.075526    -0.358808  -0.251499     0.000000  -0.000000   )
+ ( -0.058767   0.242669     0.029552   0.421338    -0.000000  -0.000000   )
+ (  0.186681   0.180041     0.394277   0.191157     0.000000  -0.000000   )
+ ( -0.054977  -0.243555     0.036117  -0.420826    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1500      0.2598      0.0000
+ **************************************************************************
+     freq (    1) =       7.098134 [THz] =     236.768258 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.292831  -0.403047   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.501800  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.292831  -0.403047   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.501800   0.000000   )
+     freq (    2) =       8.617840 [THz] =     287.460203 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.292325   0.402350   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.502654   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.292325  -0.402350   )
+ ( -0.000000  -0.000000     0.000000   0.000000     0.502654   0.000000   )
+     freq (    3) =      16.455032 [THz] =     548.880789 [cm-1]
+ ( -0.113017   0.408989     0.131127  -0.212753    -0.000000   0.000000   )
+ ( -0.426782   0.097138     0.228218  -0.117623    -0.000000   0.000000   )
+ (  0.170068  -0.388743    -0.032312   0.247818     0.000000  -0.000000   )
+ (  0.411034  -0.150433    -0.255496   0.025312     0.000000   0.000000   )
+     freq (    4) =      16.485236 [THz] =     549.888286 [cm-1]
+ (  0.076547  -0.416955    -0.110151   0.223805    -0.000000   0.000000   )
+ (  0.417113  -0.133536    -0.215766   0.140348    -0.000000   0.000000   )
+ (  0.133667  -0.402298    -0.011216   0.249191    -0.000000   0.000000   )
+ (  0.395416  -0.188312    -0.253348   0.045471    -0.000000   0.000000   )
+     freq (    5) =      23.742258 [THz] =     791.956469 [cm-1]
+ ( -0.203250  -0.149199    -0.226402  -0.356081     0.000000  -0.000000   )
+ (  0.135472  -0.222166     0.082979  -0.428698    -0.000000  -0.000000   )
+ (  0.094445   0.233775     0.289221   0.307250     0.000000  -0.000000   )
+ ( -0.004126   0.260180    -0.158812   0.406751    -0.000000   0.000000   )
+     freq (    6) =      23.866980 [THz] =     796.116747 [cm-1]
+ ( -0.222944  -0.117315    -0.274521  -0.319454    -0.000000   0.000000   )
+ (  0.099046  -0.240449     0.022074  -0.437044     0.000000   0.000000   )
+ ( -0.126270  -0.217997    -0.330336  -0.261324     0.000000  -0.000000   )
+ ( -0.030407  -0.258266     0.096813  -0.426757    -0.000000   0.000000   )
+     freq (    7) =      24.950171 [THz] =     832.248120 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.295452   0.406655   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.497332  -0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000     0.295452  -0.406655   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.497332   0.000000   )
+     freq (    8) =      25.080335 [THz] =     836.589924 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.294951  -0.405965   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.498194   0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.294951  -0.405965   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.498194   0.000000   )
+     freq (    9) =      44.032413 [THz] =    1468.763185 [cm-1]
+ (  0.434066  -0.040266    -0.251061  -0.064571    -0.000000   0.000000   )
+ ( -0.216999  -0.363023     0.199729   0.154915    -0.000000  -0.000000   )
+ ( -0.434458  -0.035787     0.250381  -0.067157     0.000000   0.000000   )
+ (  0.281470   0.315672    -0.088062  -0.236930    -0.000000   0.000000   )
+     freq (   10) =      44.095120 [THz] =    1470.854884 [cm-1]
+ ( -0.339135   0.274265     0.247815  -0.080088    -0.000000   0.000000   )
+ (  0.380884   0.182759    -0.250966  -0.021945    -0.000000   0.000000   )
+ ( -0.384182   0.206491     0.169792  -0.197477    -0.000000   0.000000   )
+ (  0.407785   0.110385    -0.204372  -0.147302     0.000000   0.000000   )
+     freq (   11) =      47.442077 [THz] =    1582.497349 [cm-1]
+ ( -0.233765  -0.108666    -0.338350  -0.280086    -0.000000   0.000000   )
+ ( -0.051118   0.243532     0.030337   0.421635     0.000000  -0.000000   )
+ ( -0.176138  -0.188228    -0.371621  -0.234150     0.000000  -0.000000   )
+ (  0.051832   0.243381    -0.029101   0.421722    -0.000000   0.000000   )
+     freq (   12) =      47.551242 [THz] =    1586.138689 [cm-1]
+ ( -0.235185  -0.105699    -0.334917  -0.282367     0.000000  -0.000000   )
+ ( -0.049420   0.244046     0.027431   0.422921    -0.000000   0.000000   )
+ (  0.172454   0.191687     0.371135   0.232721     0.000000  -0.000000   )
+ ( -0.048466  -0.244237     0.029083  -0.422810    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1333      0.2309      0.0000
+ **************************************************************************
+     freq (    1) =       6.258490 [THz] =     208.760756 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.333575  -0.370473   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.501475  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.333575  -0.370473   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.501475   0.000000   )
+     freq (    2) =       8.126140 [THz] =     271.058849 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.333204  -0.370061   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.502026  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.333204   0.370061   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.502026   0.000000   )
+     freq (    3) =      14.695879 [THz] =     490.201747 [cm-1]
+ (  0.232389  -0.356452    -0.180796   0.171314    -0.000000   0.000000   )
+ (  0.437130  -0.016315    -0.246659   0.068650    -0.000000   0.000000   )
+ (  0.272768  -0.326588    -0.110856   0.223040    -0.000000   0.000000   )
+ (  0.432177  -0.067611    -0.255236  -0.020195    -0.000000   0.000000   )
+     freq (    4) =      14.711874 [THz] =     490.735292 [cm-1]
+ (  0.237389  -0.352967    -0.185297   0.166809     0.000000  -0.000000   )
+ (  0.437535  -0.010937    -0.248297   0.060766     0.000000  -0.000000   )
+ ( -0.279166   0.320945     0.112936  -0.222274    -0.000000   0.000000   )
+ ( -0.433799   0.058094     0.254768   0.020910    -0.000000   0.000000   )
+     freq (    5) =      21.624690 [THz] =     721.322000 [cm-1]
+ (  0.206882  -0.140883     0.405267  -0.124182    -0.000000  -0.000000   )
+ (  0.199653   0.163407     0.404429   0.166022     0.000000   0.000000   )
+ ( -0.247531   0.037103    -0.381799   0.184100    -0.000000  -0.000000   )
+ ( -0.250419  -0.062076    -0.375119  -0.224525    -0.000000   0.000000   )
+     freq (    6) =      21.714118 [THz] =     724.304998 [cm-1]
+ (  0.227714  -0.104649     0.420657  -0.049879     0.000000   0.000000   )
+ (  0.170218   0.193269     0.368282   0.236212    -0.000000  -0.000000   )
+ (  0.250443   0.009128     0.407534  -0.115569    -0.000000  -0.000000   )
+ (  0.233833   0.107931     0.331554   0.285482    -0.000000   0.000000   )
+     freq (    7) =      25.348818 [THz] =     845.545539 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.335921   0.373078   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.497966  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.335921  -0.373078   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.497966   0.000000   )
+     freq (    8) =      25.494786 [THz] =     850.414522 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.335552  -0.372669   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.498520   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000     0.335552  -0.372669   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.498520   0.000000   )
+     freq (    9) =      44.565232 [THz] =    1486.536125 [cm-1]
+ ( -0.253846   0.355211     0.201729  -0.159399     0.000000  -0.000000   )
+ (  0.424280   0.015639    -0.241779   0.067599    -0.000000  -0.000000   )
+ (  0.301626  -0.315649    -0.118972   0.227922    -0.000000   0.000000   )
+ ( -0.421527   0.050723     0.246547   0.047344     0.000000  -0.000000   )
+     freq (   10) =      44.634183 [THz] =    1488.836090 [cm-1]
+ (  0.289786  -0.326285    -0.221335   0.132358     0.000000  -0.000000   )
+ ( -0.420266  -0.060973     0.247719  -0.036724     0.000000  -0.000000   )
+ (  0.336575  -0.277768    -0.140294   0.216392     0.000000  -0.000000   )
+ ( -0.424664   0.001317     0.240101   0.071166     0.000000   0.000000   )
+     freq (   11) =      47.717219 [THz] =    1591.675100 [cm-1]
+ (  0.215136   0.139140     0.307892   0.312248    -0.000000   0.000000   )
+ (  0.045990  -0.244425    -0.024024  -0.423821     0.000000   0.000000   )
+ (  0.159075   0.200845     0.340260   0.276623     0.000000  -0.000000   )
+ ( -0.043801  -0.244827     0.027816  -0.423589    -0.000000   0.000000   )
+     freq (   12) =      47.794948 [THz] =    1594.267861 [cm-1]
+ ( -0.217963  -0.135440    -0.305285  -0.313998    -0.000000   0.000000   )
+ ( -0.042937   0.244752     0.021899   0.424415     0.000000   0.000000   )
+ (  0.155403   0.204210     0.341404   0.274293    -0.000000   0.000000   )
+ ( -0.040434  -0.245178     0.026234  -0.424169     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1167      0.2021      0.0000
+ **************************************************************************
+     freq (    1) =       5.446211 [THz] =     181.666046 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.370704  -0.333783   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.501166  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.370704  -0.333783   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.501166   0.000000   )
+     freq (    2) =       7.757215 [THz] =     258.752856 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.370497  -0.333597   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.501443  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.370497   0.333597   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.501443   0.000000   )
+     freq (    3) =      12.868230 [THz] =     429.237952 [cm-1]
+ (  0.292439  -0.311195    -0.202476   0.144793     0.000000  -0.000000   )
+ (  0.436683   0.007500    -0.250342   0.047505    -0.000000   0.000000   )
+ (  0.321569  -0.280992    -0.152021   0.197107     0.000000  -0.000000   )
+ (  0.435144  -0.037390    -0.253007  -0.030247    -0.000000   0.000000   )
+     freq (    4) =      12.964247 [THz] =     432.440736 [cm-1]
+ ( -0.291116   0.311324     0.204548  -0.141785     0.000000  -0.000000   )
+ ( -0.437584  -0.005564     0.251164  -0.042331    -0.000000   0.000000   )
+ (  0.322701  -0.278451    -0.149840   0.198722    -0.000000   0.000000   )
+ (  0.436306  -0.033877    -0.253377  -0.025984     0.000000   0.000000   )
+     freq (    5) =      19.356834 [THz] =     645.674479 [cm-1]
+ ( -0.196070  -0.153601    -0.263354  -0.333976    -0.000000   0.000000   )
+ (  0.048131  -0.251815    -0.024726  -0.436725     0.000000   0.000000   )
+ (  0.130037   0.212431     0.301479   0.300010    -0.000000   0.000000   )
+ (  0.045479   0.252307    -0.029319   0.436441     0.000000   0.000000   )
+     freq (    6) =      19.387865 [THz] =     646.709549 [cm-1]
+ ( -0.209632  -0.136030    -0.285841  -0.315400     0.000000  -0.000000   )
+ (  0.025229  -0.254291    -0.054400  -0.433714    -0.000000   0.000000   )
+ ( -0.142730  -0.205129    -0.324467  -0.275505    -0.000000   0.000000   )
+ ( -0.059727  -0.248462    -0.005352  -0.437080     0.000000   0.000000   )
+     freq (    7) =      25.675150 [THz] =     856.430806 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.372644  -0.335531   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.498553   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.372644   0.335531   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.498553   0.000000   )
+     freq (    8) =      25.838205 [THz] =     861.869738 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.372439  -0.335346   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.498831   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000     0.372439  -0.335346   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.498831   0.000000   )
+     freq (    9) =      45.063359 [THz] =    1503.151859 [cm-1]
+ ( -0.285491   0.330816     0.206223  -0.150930     0.000000  -0.000000   )
+ (  0.425799  -0.001803    -0.241493   0.064193    -0.000000   0.000000   )
+ (  0.321340  -0.296117    -0.144131   0.211031    -0.000000   0.000000   )
+ ( -0.422038   0.056494     0.248006   0.030535     0.000000  -0.000000   )
+     freq (   10) =      45.152970 [THz] =    1506.140974 [cm-1]
+ ( -0.327164   0.288493     0.228097  -0.115944     0.000000   0.000000   )
+ (  0.422845   0.056259    -0.248372   0.024759    -0.000000  -0.000000   )
+ ( -0.361120   0.244657     0.169284  -0.191870    -0.000000  -0.000000   )
+ (  0.426519   0.006687    -0.242009  -0.061101    -0.000000   0.000000   )
+     freq (   11) =      47.848397 [THz] =    1596.050716 [cm-1]
+ (  0.194443   0.164700     0.276900   0.338959    -0.000000   0.000000   )
+ (  0.039366  -0.245624    -0.021529  -0.425622     0.000000   0.000000   )
+ (  0.142582   0.211197     0.306844   0.312113     0.000000  -0.000000   )
+ ( -0.038329  -0.245788     0.023326  -0.425528    -0.000000   0.000000   )
+     freq (   12) =      47.879820 [THz] =    1597.098886 [cm-1]
+ (  0.198508   0.161029     0.274480   0.341075     0.000000  -0.000000   )
+ (  0.035475  -0.245567    -0.019232  -0.425512    -0.000000  -0.000000   )
+ ( -0.138453  -0.214865    -0.309155  -0.309992     0.000000  -0.000000   )
+ (  0.034394   0.245721    -0.021105   0.425424    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.1000      0.1732      0.0000
+ **************************************************************************
+     freq (    1) =       4.654453 [THz] =     155.255838 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.403795  -0.293374   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.500881  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.403795  -0.293374   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.500881   0.000000   )
+     freq (    2) =       7.505805 [THz] =     250.366710 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.403777   0.293361   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.500903   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000     0.403777  -0.293361   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.500903   0.000000   )
+     freq (    3) =      11.018245 [THz] =     367.529084 [cm-1]
+ ( -0.333362   0.269182     0.215931  -0.123867    -0.000000   0.000000   )
+ ( -0.435729  -0.014588     0.251063  -0.036555     0.000000  -0.000000   )
+ ( -0.353683   0.241863     0.180735  -0.171185    -0.000000   0.000000   )
+ ( -0.435291   0.024364     0.251820   0.030911     0.000000   0.000000   )
+     freq (    4) =      11.239604 [THz] =     374.912847 [cm-1]
+ ( -0.329899   0.270976     0.217660  -0.120043     0.000000  -0.000000   )
+ ( -0.437441  -0.010140     0.252070  -0.030920    -0.000000   0.000000   )
+ (  0.353448  -0.239449    -0.176871   0.174651    -0.000000   0.000000   )
+ (  0.437019  -0.021708    -0.252800  -0.024242     0.000000   0.000000   )
+     freq (    5) =      16.907011 [THz] =     563.957177 [cm-1]
+ (  0.182789   0.169993     0.244033   0.350924    -0.000000   0.000000   )
+ ( -0.024722   0.252717     0.033530   0.435189     0.000000  -0.000000   )
+ (  0.119944   0.218912     0.280316   0.322680     0.000000  -0.000000   )
+ (  0.041399   0.250526    -0.004645   0.436454    -0.000000   0.000000   )
+     freq (    6) =      16.964681 [THz] =     565.880853 [cm-1]
+ ( -0.165796  -0.184825    -0.221832  -0.364187    -0.000000   0.000000   )
+ (  0.047351  -0.250750    -0.006949  -0.437428     0.000000   0.000000   )
+ (  0.109214   0.222982     0.254500   0.342157    -0.000000   0.000000   )
+ (  0.029694   0.253449    -0.037533   0.435870     0.000000   0.000000   )
+     freq (    7) =      25.936005 [THz] =     865.132004 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.405239  -0.294423   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.499096   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.405239   0.294423   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.499096   0.000000   )
+     freq (    8) =      26.117022 [THz] =     871.170074 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.405221   0.294410   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499118  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.405221   0.294410   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499118   0.000000   )
+     freq (    9) =      45.513973 [THz] =    1518.182723 [cm-1]
+ (  0.331280  -0.285257    -0.219309   0.128996    -0.000000   0.000000   )
+ ( -0.426685  -0.006417     0.244398  -0.048101     0.000000  -0.000000   )
+ ( -0.355568   0.254343     0.177243  -0.182542     0.000000  -0.000000   )
+ (  0.424997  -0.038448    -0.247321  -0.029608    -0.000000   0.000000   )
+     freq (   10) =      45.636927 [THz] =    1522.284037 [cm-1]
+ (  0.347004  -0.263503    -0.229785   0.108860    -0.000000   0.000000   )
+ ( -0.426994  -0.032517     0.247902  -0.025809     0.000000   0.000000   )
+ (  0.372502  -0.226027    -0.185622   0.173770    -0.000000   0.000000   )
+ ( -0.428187   0.006092     0.245836   0.041065     0.000000   0.000000   )
+     freq (   11) =      47.831080 [THz] =    1595.473093 [cm-1]
+ (  0.176229   0.184008     0.240360   0.365738     0.000000  -0.000000   )
+ (  0.028796  -0.246170    -0.015991  -0.426453    -0.000000  -0.000000   )
+ ( -0.120042  -0.224735    -0.272798  -0.342226     0.000000  -0.000000   )
+ (  0.028245   0.246234    -0.016945   0.426416    -0.000000   0.000000   )
+     freq (   12) =      47.858455 [THz] =    1596.386212 [cm-1]
+ (  0.170921   0.187341     0.242893   0.363016    -0.000000   0.000000   )
+ (  0.033507  -0.246662    -0.018746  -0.427312     0.000000   0.000000   )
+ (  0.124890   0.220711     0.269467   0.343752     0.000000  -0.000000   )
+ ( -0.032987  -0.246732     0.019646  -0.427271    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0833      0.1443      0.0000
+ **************************************************************************
+     freq (    1) =       3.875648 [THz] =     129.277701 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.432470   0.249687   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.500626   0.000000   )
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.432470   0.249687   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.500626   0.000000   )
+     freq (    2) =       7.355837 [THz] =     245.364296 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.432656  -0.249794   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500412  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.432656   0.249794   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.500412   0.000000   )
+     freq (    3) =       9.160244 [THz] =     305.552850 [cm-1]
+ ( -0.364951   0.226983     0.225971  -0.104737    -0.000000   0.000000   )
+ ( -0.434889  -0.015844     0.251000  -0.029605     0.000000  -0.000000   )
+ ( -0.378172   0.204196     0.203071  -0.144204    -0.000000   0.000000   )
+ ( -0.434817   0.017717     0.251125   0.028524     0.000000   0.000000   )
+     freq (    4) =       9.567670 [THz] =     319.143123 [cm-1]
+ ( -0.360672   0.229435     0.227972  -0.098527     0.000000  -0.000000   )
+ ( -0.437367  -0.010704     0.252425  -0.021756    -0.000000   0.000000   )
+ (  0.377766  -0.200044    -0.198365   0.149433    -0.000000   0.000000   )
+ (  0.437290  -0.013489    -0.252559  -0.020147     0.000000   0.000000   )
+     freq (    5) =      14.292594 [THz] =     476.749605 [cm-1]
+ (  0.155055   0.195628     0.202905   0.377950    -0.000000   0.000000   )
+ ( -0.020897   0.251745     0.019991   0.435269     0.000000  -0.000000   )
+ (  0.098193   0.229501     0.235734   0.358394     0.000000  -0.000000   )
+ (  0.027761   0.251081    -0.008102   0.435652    -0.000000   0.000000   )
+     freq (    6) =      14.479630 [THz] =     482.988468 [cm-1]
+ ( -0.139820  -0.204618    -0.191099  -0.382160    -0.000000   0.000000   )
+ (  0.038194  -0.251424    -0.006964  -0.437373     0.000000   0.000000   )
+ (  0.095586   0.228651     0.216637   0.368284    -0.000000   0.000000   )
+ (  0.025128   0.253064    -0.029595   0.436426     0.000000   0.000000   )
+     freq (    7) =      26.139519 [THz] =     871.920504 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.433369  -0.250206   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.499588   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.433369   0.250206   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.499588   0.000000   )
+     freq (    8) =      26.338439 [THz] =     878.555759 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.433554   0.250313   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499374  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.433554   0.250313   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499374   0.000000   )
+     freq (    9) =      45.907197 [THz] =    1531.299264 [cm-1]
+ (  0.367153  -0.237471    -0.229780   0.107390    -0.000000   0.000000   )
+ ( -0.427280  -0.011264     0.246009  -0.035492     0.000000  -0.000000   )
+ ( -0.382571   0.211738     0.203074  -0.151961     0.000000  -0.000000   )
+ (  0.426690  -0.025105    -0.247030  -0.027501    -0.000000   0.000000   )
+     freq (   10) =      46.072444 [THz] =    1536.811295 [cm-1]
+ ( -0.370055   0.228808     0.234503  -0.094942     0.000000  -0.000000   )
+ (  0.429215   0.019651    -0.248214   0.021891    -0.000000  -0.000000   )
+ ( -0.388113   0.196626     0.203225  -0.150682     0.000000  -0.000000   )
+ (  0.429567  -0.009132    -0.247604  -0.027963    -0.000000   0.000000   )
+     freq (   11) =      47.682465 [THz] =    1590.515818 [cm-1]
+ ( -0.151718  -0.203862    -0.203544  -0.387255    -0.000000   0.000000   )
+ ( -0.022386   0.246647     0.012588   0.427236     0.000000   0.000000   )
+ (  0.100415   0.233442     0.233163   0.370178    -0.000000   0.000000   )
+ ( -0.022094  -0.246674     0.013093  -0.427221     0.000000   0.000000   )
+     freq (   12) =      47.777060 [THz] =    1593.671167 [cm-1]
+ (  0.145036   0.206722     0.206447   0.383866    -0.000000   0.000000   )
+ (  0.028155  -0.247579    -0.015957  -0.428853     0.000000   0.000000   )
+ (  0.106270   0.229077     0.228828   0.370960     0.000000  -0.000000   )
+ ( -0.027896  -0.247608     0.016404  -0.428836    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0667      0.1155      0.0000
+ **************************************************************************
+     freq (    1) =       3.102866 [THz] =     103.500464 [cm-1]
+ (  0.000000   0.000000    -0.000000  -0.000000     0.456400  -0.203202   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.500408  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.456400  -0.203202   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.500408   0.000000   )
+     freq (    2) =       7.283587 [THz] =     242.954297 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000     0.456790  -0.203376   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.499981  -0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.456790   0.203376   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.499981   0.000000   )
+     freq (    3) =       7.305490 [THz] =     243.684919 [cm-1]
+ ( -0.430770   0.011178     0.248796   0.015170    -0.000000   0.000000   )
+ ( -0.391617  -0.188048     0.239438   0.078271     0.000000   0.000000   )
+ ( -0.430848  -0.007548     0.248659  -0.017265    -0.000000  -0.000000   )
+ ( -0.403168  -0.161809     0.219432   0.123719     0.000000   0.000000   )
+     freq (    4) =       7.982832 [THz] =     266.278611 [cm-1]
+ ( -0.384980   0.186702     0.236239  -0.076220     0.000000  -0.000000   )
+ ( -0.437354  -0.008966     0.252548  -0.013228    -0.000000  -0.000000   )
+ (  0.397079  -0.159360    -0.215283   0.123578    -0.000000   0.000000   )
+ (  0.437390  -0.006972    -0.252485  -0.014379     0.000000   0.000000   )
+     freq (    5) =      11.566885 [THz] =     385.829765 [cm-1]
+ ( -0.129986  -0.213337    -0.166348  -0.396805     0.000000  -0.000000   )
+ (  0.011753  -0.251282    -0.015921  -0.434661    -0.000000   0.000000   )
+ ( -0.079069  -0.236975    -0.195746  -0.383158    -0.000000   0.000000   )
+ ( -0.019665  -0.250787     0.002217  -0.434947     0.000000   0.000000   )
+     freq (    6) =      11.941477 [THz] =     398.324801 [cm-1]
+ ( -0.111048  -0.221279    -0.155912  -0.398497    -0.000000   0.000000   )
+ (  0.031740  -0.251677    -0.005001  -0.437289     0.000000   0.000000   )
+ (  0.079500   0.234469     0.174126   0.390881    -0.000000   0.000000   )
+ (  0.020201   0.252865    -0.024988   0.436604     0.000000   0.000000   )
+     freq (    7) =      26.294381 [THz] =     877.086142 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.456755   0.203361   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500019  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.456755  -0.203361   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.500019   0.000000   )
+     freq (    8) =      26.509639 [THz] =     884.266369 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.457145   0.203534   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499592  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.457145   0.203534   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499592   0.000000   )
+     freq (    9) =      46.235880 [THz] =    1542.262937 [cm-1]
+ ( -0.393680   0.190335     0.237625  -0.087090     0.000000  -0.000000   )
+ (  0.427783   0.011641    -0.246757   0.026752    -0.000000   0.000000   )
+ (  0.402629  -0.170589    -0.222124   0.121290    -0.000000   0.000000   )
+ ( -0.427590   0.017347     0.247092   0.023457     0.000000   0.000000   )
+     freq (   10) =      46.447209 [THz] =    1549.312126 [cm-1]
+ (  0.391252  -0.188733    -0.239959   0.077000    -0.000000   0.000000   )
+ ( -0.430718  -0.011613     0.248771  -0.015892     0.000000   0.000000   )
+ (  0.403436  -0.161050    -0.218855   0.124947    -0.000000   0.000000   )
+ ( -0.430801   0.007956     0.248627   0.018003     0.000000   0.000000   )
+     freq (   11) =      47.473566 [THz] =    1583.547723 [cm-1]
+ (  0.125655   0.220294     0.164326   0.405278     0.000000  -0.000000   )
+ (  0.015797  -0.247027    -0.008946  -0.427875    -0.000000  -0.000000   )
+ ( -0.079483  -0.240834    -0.190983  -0.393419     0.000000  -0.000000   )
+ (  0.015646   0.247037    -0.009208   0.427869    -0.000000   0.000000   )
+     freq (   12) =      47.638595 [THz] =    1589.052487 [cm-1]
+ (  0.117206   0.222656     0.168018   0.401217    -0.000000   0.000000   )
+ (  0.023182  -0.248373    -0.013221  -0.430210     0.000000   0.000000   )
+ (  0.086905   0.236136     0.185512   0.393434     0.000000  -0.000000   )
+ ( -0.023040  -0.248386     0.013466  -0.430203    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0500      0.0866      0.0000
+ **************************************************************************
+     freq (    1) =       2.330854 [THz] =      77.748905 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000     0.475307  -0.154437   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.500232  -0.000000   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.475307  -0.154437   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500232   0.000000   )
+     freq (    2) =       5.461185 [THz] =     182.165540 [cm-1]
+ ( -0.408298   0.140619     0.239762  -0.068974    -0.000000   0.000000   )
+ ( -0.433663  -0.010078     0.250246  -0.022086     0.000000  -0.000000   )
+ ( -0.411789   0.130042     0.233716  -0.087293    -0.000000   0.000000   )
+ ( -0.433551   0.014088     0.250440   0.019770     0.000000   0.000000   )
+     freq (    3) =       6.531770 [THz] =     217.876408 [cm-1]
+ ( -0.402603   0.145501     0.242680  -0.052393     0.000000  -0.000000   )
+ ( -0.437383  -0.003024     0.252529  -0.004247    -0.000000  -0.000000   )
+ (  0.411468  -0.118124    -0.227324   0.099811    -0.000000   0.000000   )
+ (  0.437388  -0.002166    -0.252520  -0.004743     0.000000   0.000000   )
+     freq (    4) =       7.262403 [THz] =     242.247681 [cm-1]
+ ( -0.000000   0.000000     0.000000  -0.000000    -0.475885   0.154624   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.499625   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.475885  -0.154624   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499625   0.000000   )
+     freq (    5) =       8.752732 [THz] =     291.959701 [cm-1]
+ ( -0.096156  -0.230974    -0.108818  -0.417287     0.000000  -0.000000   )
+ (  0.011472  -0.250493     0.007347  -0.434169    -0.000000  -0.000000   )
+ ( -0.046161  -0.245894    -0.137683  -0.408673    -0.000000   0.000000   )
+ (  0.000626  -0.250755     0.013609  -0.434018     0.000000   0.000000   )
+     freq (    6) =       9.408730 [THz] =     313.841446 [cm-1]
+ ( -0.084012  -0.232789    -0.124166  -0.409973    -0.000000   0.000000   )
+ (  0.022989  -0.252162    -0.009190  -0.437101     0.000000   0.000000   )
+ (  0.065525   0.238653     0.134840   0.406588    -0.000000   0.000000   )
+ (  0.019454   0.252459    -0.015314   0.436929     0.000000   0.000000   )
+     freq (    7) =      26.409161 [THz] =     880.914799 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.475171   0.154393   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500375  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.475171  -0.154393   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.500375   0.000000   )
+     freq (    8) =      26.637013 [THz] =     888.515101 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.475749   0.154580   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499768  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.475749   0.154580   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499768   0.000000   )
+     freq (    9) =      46.495179 [THz] =    1550.912226 [cm-1]
+ ( -0.413240   0.142930     0.243681  -0.066972     0.000000  -0.000000   )
+ (  0.428194   0.010093    -0.247150   0.020085    -0.000000   0.000000   )
+ (  0.417654  -0.129464    -0.236035   0.090295    -0.000000   0.000000   )
+ ( -0.428135   0.012348     0.247252   0.018784     0.000000   0.000000   )
+     freq (   10) =      46.750536 [THz] =    1559.430030 [cm-1]
+ (  0.408396  -0.146030    -0.245207   0.055189    -0.000000   0.000000   )
+ ( -0.431817  -0.005241     0.249324  -0.007762     0.000000   0.000000   )
+ (  0.416554  -0.120810    -0.231078   0.098871    -0.000000   0.000000   )
+ ( -0.431829   0.004102     0.249302   0.008419     0.000000   0.000000   )
+     freq (   11) =      47.246010 [THz] =    1575.957272 [cm-1]
+ (  0.099598   0.232892     0.122427   0.419644     0.000000  -0.000000   )
+ (  0.007733  -0.247321    -0.004363  -0.428376    -0.000000  -0.000000   )
+ ( -0.056226  -0.246976    -0.147468  -0.411512     0.000000  -0.000000   )
+ (  0.007645   0.247324    -0.004516   0.428374    -0.000000   0.000000   )
+     freq (   12) =      47.479344 [THz] =    1583.740426 [cm-1]
+ ( -0.087900  -0.234997    -0.128039  -0.414887     0.000000  -0.000000   )
+ ( -0.018430   0.249032     0.010546   0.431343    -0.000000  -0.000000   )
+ ( -0.066935  -0.241805    -0.140143  -0.410957    -0.000000   0.000000   )
+ (  0.018348   0.249038    -0.010688   0.431339     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0333      0.0577      0.0000
+ **************************************************************************
+     freq (    1) =       1.556588 [THz] =      51.922199 [cm-1]
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.488972   0.103934   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.500104   0.000000   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.488972   0.103934   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.500104   0.000000   )
+     freq (    2) =       3.630112 [THz] =     121.087487 [cm-1]
+ ( -0.422449   0.092679     0.244850  -0.049088    -0.000000   0.000000   )
+ ( -0.433208  -0.008917     0.250067  -0.017444     0.000000  -0.000000   )
+ ( -0.423271   0.088851     0.243427  -0.055718    -0.000000   0.000000   )
+ ( -0.433169   0.010648     0.250135   0.016444     0.000000   0.000000   )
+     freq (    3) =       5.289718 [THz] =     176.446000 [cm-1]
+ (  0.411363  -0.114270    -0.250515   0.003864    -0.000000   0.000000   )
+ (  0.436410  -0.015058    -0.251852  -0.028996     0.000000   0.000000   )
+ ( -0.422633   0.060481     0.230993  -0.097029     0.000000  -0.000000   )
+ ( -0.436315  -0.017583     0.252016  -0.027538    -0.000000   0.000000   )
+     freq (    4) =       5.875169 [THz] =     195.974554 [cm-1]
+ ( -0.096933  -0.233391    -0.059549  -0.426542     0.000000  -0.000000   )
+ ( -0.026521  -0.249973     0.019047  -0.432546    -0.000000   0.000000   )
+ ( -0.003104  -0.252701    -0.113720  -0.415393    -0.000000   0.000000   )
+ (  0.029756  -0.249609    -0.013444  -0.432756     0.000000   0.000000   )
+     freq (    5) =       6.992189 [THz] =     233.234321 [cm-1]
+ ( -0.068203  -0.237914    -0.111201  -0.413971    -0.000000   0.000000   )
+ (  0.002399  -0.252854    -0.034682  -0.435733     0.000000  -0.000000   )
+ (  0.062202   0.239553     0.114666   0.413025    -0.000000   0.000000   )
+ (  0.031234   0.250929     0.015263   0.436845     0.000000   0.000000   )
+     freq (    6) =       7.267348 [THz] =     242.412635 [cm-1]
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.489701   0.104089   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.499358   0.000000   )
+ (  0.000000  -0.000000    -0.000000   0.000000     0.489701  -0.104089   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499358   0.000000   )
+     freq (    7) =      26.491411 [THz] =     883.658351 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000     0.488445  -0.103822   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.500642   0.000000   )
+ (  0.000000   0.000000     0.000000   0.000000    -0.488445   0.103822   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.500642   0.000000   )
+     freq (    8) =      26.725438 [THz] =     891.464646 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.489176   0.103978   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499896  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.489176   0.103978   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499896   0.000000   )
+     freq (    9) =      46.682056 [THz] =    1557.145762 [cm-1]
+ (  0.426751  -0.095118    -0.248207   0.046397    -0.000000   0.000000   )
+ ( -0.428508  -0.007577     0.247376  -0.014347     0.000000  -0.000000   )
+ ( -0.428329   0.087740     0.245474  -0.059176     0.000000  -0.000000   )
+ (  0.428488  -0.008637    -0.247411  -0.013736    -0.000000   0.000000   )
+     freq (   10) =      46.973383 [THz] =    1566.863412 [cm-1]
+ ( -0.415623   0.116822     0.253369  -0.004294     0.000000  -0.000000   )
+ (  0.431599  -0.015946    -0.249175  -0.027850    -0.000000  -0.000000   )
+ ( -0.427235   0.062129     0.233256  -0.099024     0.000000  -0.000000   )
+ (  0.431592   0.016146    -0.249188   0.027735    -0.000000   0.000000   )
+     freq (   11) =      47.039601 [THz] =    1569.072195 [cm-1]
+ ( -0.099389  -0.235424    -0.063033  -0.430945    -0.000000   0.000000   )
+ (  0.028060   0.246964    -0.016273   0.427746     0.000000   0.000000   )
+ (  0.004894   0.255497     0.117590   0.419356    -0.000000   0.000000   )
+ (  0.028123  -0.246957    -0.016164  -0.427750     0.000000   0.000000   )
+     freq (   12) =      47.334214 [THz] =    1578.899419 [cm-1]
+ (  0.057766   0.243629     0.086774   0.424799    -0.000000   0.000000   )
+ (  0.013578  -0.249537    -0.007774  -0.432215     0.000000   0.000000   )
+ (  0.046266   0.246072     0.093414   0.423389     0.000000  -0.000000   )
+ ( -0.013522  -0.249540     0.007872  -0.432213    -0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0167      0.0289      0.0000
+ **************************************************************************
+     freq (    1) =       0.779297 [THz] =      25.994563 [cm-1]
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497235   0.052261   )
+ (  0.000000  -0.000000    -0.000000   0.000000    -0.500026   0.000000   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.497235   0.052261   )
+ (  0.000000  -0.000000    -0.000000  -0.000000    -0.500026   0.000000   )
+     freq (    2) =       1.811117 [THz] =      60.412369 [cm-1]
+ (  0.430495  -0.045389    -0.248425   0.027340     0.000000  -0.000000   )
+ (  0.433012   0.005742    -0.249978   0.011414    -0.000000   0.000000   )
+ (  0.430390  -0.046372    -0.248607   0.025638     0.000000  -0.000000   )
+ (  0.432993  -0.007014    -0.250010  -0.010679    -0.000000   0.000000   )
+     freq (    3) =       2.944952 [THz] =      98.233011 [cm-1]
+ ( -0.148851  -0.200819    -0.270082  -0.338215     0.000000   0.000000   )
+ ( -0.118282  -0.220793    -0.238328  -0.361442     0.000000   0.000000   )
+ ( -0.159472  -0.192493    -0.263950  -0.343022     0.000000   0.000000   )
+ ( -0.147257  -0.202622    -0.221600  -0.371933     0.000000   0.000000   )
+     freq (    4) =       4.407858 [THz] =     147.030326 [cm-1]
+ (  0.427078  -0.038019    -0.245642   0.031392    -0.000000   0.000000   )
+ (  0.436784   0.012490    -0.252320   0.015226     0.000000   0.000000   )
+ ( -0.426271   0.046195     0.247040  -0.017229     0.000000  -0.000000   )
+ ( -0.436907   0.006941     0.252106   0.018430    -0.000000   0.000000   )
+     freq (    5) =       4.971029 [THz] =     165.815668 [cm-1]
+ (  0.022118   0.246569     0.040863   0.426830     0.000000  -0.000000   )
+ ( -0.013605   0.252209     0.001579   0.437109    -0.000000  -0.000000   )
+ ( -0.024329  -0.246361    -0.039586  -0.426950     0.000000  -0.000000   )
+ ( -0.008170  -0.252443     0.010993  -0.436973    -0.000000   0.000000   )
+     freq (    6) =       7.278668 [THz] =     242.790227 [cm-1]
+ (  0.000000   0.000000    -0.000000   0.000000     0.498063  -0.052349   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499192  -0.000000   )
+ ( -0.000000   0.000000     0.000000   0.000000    -0.498063   0.052349   )
+ ( -0.000000  -0.000000     0.000000  -0.000000    -0.499192   0.000000   )
+     freq (    7) =      26.544978 [THz] =     885.445142 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.496457   0.052180   )
+ ( -0.000000   0.000000     0.000000   0.000000     0.500807  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000     0.496457  -0.052180   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.500807   0.000000   )
+     freq (    8) =      26.777804 [THz] =     893.211387 [cm-1]
+ (  0.000000   0.000000     0.000000   0.000000    -0.497287   0.052267   )
+ (  0.000000  -0.000000    -0.000000  -0.000000     0.499974  -0.000000   )
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.497287   0.052267   )
+ (  0.000000   0.000000    -0.000000   0.000000     0.499974   0.000000   )
+     freq (    9) =      46.794768 [THz] =    1560.905443 [cm-1]
+ (  0.434612  -0.047330    -0.251233   0.024410    -0.000000   0.000000   )
+ ( -0.428730  -0.004211     0.247518  -0.008134     0.000000  -0.000000   )
+ ( -0.434880   0.044805     0.250769  -0.028784     0.000000  -0.000000   )
+ (  0.428722  -0.004939    -0.247532  -0.007714    -0.000000   0.000000   )
+     freq (   10) =      46.889185 [THz] =    1564.054873 [cm-1]
+ ( -0.025674  -0.251110    -0.046027  -0.434772    -0.000000   0.000000   )
+ ( -0.010785   0.247478     0.006145   0.428648     0.000000   0.000000   )
+ (  0.027023   0.250969     0.045248   0.434854    -0.000000   0.000000   )
+ ( -0.010714  -0.247481     0.006268  -0.428647     0.000000   0.000000   )
+     freq (   11) =      47.110530 [THz] =    1571.438138 [cm-1]
+ ( -0.430814   0.044855     0.248601  -0.027128    -0.000000   0.000000   )
+ (  0.432754   0.006002    -0.249847   0.010657     0.000000  -0.000000   )
+ ( -0.430702   0.045921     0.248795  -0.025282    -0.000000   0.000000   )
+ (  0.432751  -0.006228    -0.249852  -0.010526     0.000000   0.000000   )
+     freq (   12) =      47.233124 [THz] =    1575.527423 [cm-1]
+ ( -0.028017  -0.248517    -0.044121  -0.430906     0.000000  -0.000000   )
+ ( -0.007765   0.249873     0.004410   0.432795    -0.000000  -0.000000   )
+ ( -0.024201  -0.248917    -0.046324  -0.430675    -0.000000   0.000000   )
+ (  0.007702   0.249875    -0.004520   0.432794     0.000000   0.000000   )
+ **************************************************************************
+     diagonalizing the dynamical matrix ...
+
+ q =       0.0000      0.0000      0.0000
+ **************************************************************************
+     freq (    1) =      -0.000001 [THz] =      -0.000028 [cm-1]
+ (  0.207454  -0.000000    -0.441741  -0.000000    -0.108753   0.000000   )
+ (  0.207454  -0.000000    -0.441741  -0.000000    -0.108753   0.000000   )
+ (  0.207454  -0.000000    -0.441741  -0.000000    -0.108753  -0.000000   )
+ (  0.207454  -0.000000    -0.441741  -0.000000    -0.108753   0.000000   )
+     freq (    2) =      -0.000001 [THz] =      -0.000024 [cm-1]
+ ( -0.454931   0.000000    -0.201563   0.000000    -0.049088  -0.000000   )
+ ( -0.454931   0.000000    -0.201563   0.000000    -0.049088  -0.000000   )
+ ( -0.454931   0.000000    -0.201563   0.000000    -0.049088   0.000000   )
+ ( -0.454931   0.000000    -0.201563   0.000000    -0.049088   0.000000   )
+     freq (    3) =      -0.000001 [THz] =      -0.000023 [cm-1]
+ (  0.000473   0.000000    -0.119317   0.000000     0.485554  -0.000000   )
+ (  0.000473   0.000000    -0.119317   0.000000     0.485554  -0.000000   )
+ (  0.000473   0.000000    -0.119317   0.000000     0.485554   0.000000   )
+ (  0.000473   0.000000    -0.119317   0.000000     0.485554  -0.000000   )
+     freq (    4) =       4.072307 [THz] =     135.837528 [cm-1]
+ ( -0.457112  -0.000000    -0.190349  -0.000000     0.000000   0.000000   )
+ ( -0.466004  -0.000000    -0.194052  -0.000000     0.000000   0.000000   )
+ (  0.457112   0.000000     0.190349   0.000000    -0.000000   0.000000   )
+ (  0.466004   0.000000     0.194052   0.000000    -0.000000   0.000000   )
+     freq (    5) =       4.072307 [THz] =     135.837528 [cm-1]
+ ( -0.190349  -0.000000     0.457112   0.000000     0.000000   0.000000   )
+ ( -0.194052  -0.000000     0.466004   0.000000     0.000000   0.000000   )
+ (  0.190349   0.000000    -0.457112  -0.000000    -0.000000  -0.000000   )
+ (  0.194052   0.000000    -0.466004  -0.000000    -0.000000   0.000000   )
+     freq (    6) =       7.283861 [THz] =     242.963458 [cm-1]
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.500862  -0.000000   )
+ ( -0.000000  -0.000000     0.000000   0.000000    -0.499136  -0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.500862   0.000000   )
+ (  0.000000   0.000000    -0.000000  -0.000000     0.499136   0.000000   )
+     freq (    7) =      26.564965 [THz] =     886.111866 [cm-1]
+ (  0.000000  -0.000000     0.000000  -0.000000    -0.499136   0.000000   )
+ (  0.000000  -0.000000     0.000000  -0.000000     0.500862  -0.000000   )
+ ( -0.000000   0.000000    -0.000000   0.000000     0.499136   0.000000   )
+ ( -0.000000   0.000000    -0.000000  -0.000000    -0.500862   0.000000   )
+     freq (    8) =      26.795201 [THz] =     893.791689 [cm-1]
+ ( -0.000000  -0.000000    -0.000000  -0.000000    -0.500000   0.000000   )
+ ( -0.000000  -0.000000     0.000000  -0.000000     0.500000  -0.000000   )
+ (  0.000000   0.000000    -0.000000   0.000000    -0.500000   0.000000   )
+ (  0.000000   0.000000     0.000000  -0.000000     0.500000   0.000000   )
+     freq (    9) =      46.832433 [THz] =    1562.161811 [cm-1]
+ ( -0.492849  -0.000000     0.109158   0.000000     0.000000  -0.000000   )
+ (  0.483446   0.000000    -0.107075  -0.000000    -0.000000   0.000000   )
+ (  0.492849   0.000000    -0.109158  -0.000000    -0.000000   0.000000   )
+ ( -0.483446  -0.000000     0.107075   0.000000     0.000000   0.000000   )
+     freq (   10) =      46.832433 [THz] =    1562.161811 [cm-1]
+ (  0.109158   0.000000     0.492849   0.000000     0.000000  -0.000000   )
+ ( -0.107075  -0.000000    -0.483446  -0.000000    -0.000000   0.000000   )
+ ( -0.109158  -0.000000    -0.492849  -0.000000    -0.000000  -0.000000   )
+ (  0.107075   0.000000     0.483446   0.000000     0.000000   0.000000   )
+     freq (   11) =      47.156472 [THz] =    1572.970606 [cm-1]
+ (  0.433013  -0.000000    -0.250000   0.000000     0.000000  -0.000000   )
+ ( -0.433013   0.000000     0.250000  -0.000000    -0.000000   0.000000   )
+ (  0.433013  -0.000000    -0.250000   0.000000     0.000000   0.000000   )
+ ( -0.433013   0.000000     0.250000  -0.000000    -0.000000   0.000000   )
+     freq (   12) =      47.196896 [THz] =    1574.318990 [cm-1]
+ (  0.250000  -0.000000     0.433013  -0.000000    -0.000000   0.000000   )
+ ( -0.250000   0.000000    -0.433013   0.000000     0.000000  -0.000000   )
+ (  0.250000  -0.000000     0.433013  -0.000000    -0.000000   0.000000   )
+ ( -0.250000   0.000000    -0.433013   0.000000     0.000000   0.000000   )
+ **************************************************************************
diff --git a/user_static/data/graphite/matdyn.out b/user_static/data/graphite/matdyn.out
new file mode 100644
index 0000000..356b137
--- /dev/null
+++ b/user_static/data/graphite/matdyn.out
@@ -0,0 +1,32 @@
+
+     Program MATDYN v.7.1 starts on 29May2024 at 13:35:13 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on      12 processor cores
+     Number of MPI processes:                12
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =      12
+     100297 MiB available memory on the printing compute node when the environment starts
+
+ mass for atomic type   1 not given; uses mass from file graphite.fc                                                                                                                                                                                                                                                     
+Norm of the difference between old and new effective charges:    0.00000000000000000000
+Norm of the difference between old and new force-constants:   0.01146618850906711527
+
+     MATDYN       :      0.09s CPU      0.09s WALL
+
+
+   This run was terminated on:  13:35:13  29May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/graphite/ph.in b/user_static/data/graphite/ph.in
new file mode 100644
index 0000000..7ff684e
--- /dev/null
+++ b/user_static/data/graphite/ph.in
@@ -0,0 +1,12 @@
+Graphite
+&inputph
+  outdir='/home/bonacc_m/Documents/phonons/example16/TMP_graphite'
+  prefix='graphite'
+  fildyn='graphite.dyn',
+  tr2_ph=1d-16,
+  ldisp=.true.
+  !asr=.true.
+  nq1=4
+  nq2=4
+  nq3=2
+/
diff --git a/user_static/data/graphite/ph.out b/user_static/data/graphite/ph.out
new file mode 100644
index 0000000..e4e5e9d
--- /dev/null
+++ b/user_static/data/graphite/ph.out
@@ -0,0 +1,5041 @@
+
+     Program PHONON v.7.1 starts on  2May2024 at 16:24:46 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     222325 MiB available memory on the printing compute node when the environment starts
+
+     Reading input from graphite.ph.in
+
+     Reading xml data from directory:
+
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/graphite.save/
+     file C.pbe-rrkjus.UPF: wavefunction(s)  2S 2P renormalized
+
+     IMPORTANT: XC functional enforced from input :
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+     Any further DFT definition will be discarded
+     Please, verify this is what you really want
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     10                 1516      823     184
+     Max          45      32     11                 1521      825     193
+     Sum         265     187     61                 9111     4943    1117
+
+     Using Slab Decomposition
+
+     Reading collected, re-writing distributed wavefunctions
+
+
+     Dynamical matrices for ( 4, 4, 2)  uniform grid of q-points
+     (   8 q-points):
+       N         xq(1)         xq(2)         xq(3) 
+       1   0.000000000   0.000000000   0.000000000
+       2   0.000000000   0.000000000  -0.193607630
+       3   0.000000000   0.288675135   0.000000000
+       4   0.000000000   0.288675135  -0.193607630
+       5   0.000000000  -0.577350269   0.000000000
+       6   0.000000000  -0.577350269  -0.193607630
+       7   0.250000000   0.433012702   0.000000000
+       8   0.250000000   0.433012702  -0.193607630
+
+     Calculation of q =    0.0000000   0.0000000   0.0000000
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.0000000   0.0000000 )
+
+     25 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=    40
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     Mode symmetry, D_6h(6/mmm) point group:
+
+
+     Electric field:
+     Dielectric constant
+     Born effective charges in two ways 
+
+
+     Atomic displacements:
+     There are    8 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+     Representation     7      2 modes -  To be done
+
+     Representation     8      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :      0.50s CPU      0.53s WALL
+
+
+     Electric Fields Calculation
+
+      iter #   1 total cpu time :     3.8 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.362E-06
+
+      iter #   2 total cpu time :     5.1 secs   av.it.:   7.9
+      thresh= 1.167E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.006E-07
+
+      iter #   3 total cpu time :     6.2 secs   av.it.:   7.2
+      thresh= 3.172E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.143E-09
+
+      iter #   4 total cpu time :     7.4 secs   av.it.:   7.5
+      thresh= 7.172E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.484E-12
+
+      iter #   5 total cpu time :     8.6 secs   av.it.:   8.4
+      thresh= 1.867E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.136E-13
+
+      iter #   6 total cpu time :     9.8 secs   av.it.:   8.0
+      thresh= 3.371E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.983E-16
+
+      iter #   7 total cpu time :    10.9 secs   av.it.:   8.0
+      thresh= 1.727E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.193E-17
+
+     End of electric fields calculation
+
+          Dielectric constant in cartesian axis 
+
+          (      74.558105274      -0.000000000       0.000000000 )
+          (      -0.000000000      74.558105274       0.000000000 )
+          (       0.000000000       0.000000000       3.597784260 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   C  Mean Z*:        0.56287
+      Ex  (        0.79194        0.00000       -0.00000 )
+      Ey  (        0.00000        0.79194       -0.00000 )
+      Ez  (        0.00000       -0.00000        0.10475 )
+           atom      2   C  Mean Z*:       -0.57329
+      Ex  (       -0.80966        0.00000       -0.00000 )
+      Ey  (       -0.00000       -0.80966        0.00000 )
+      Ez  (        0.00000       -0.00000       -0.10055 )
+           atom      3   C  Mean Z*:        0.56287
+      Ex  (        0.79194        0.00000        0.00000 )
+      Ey  (        0.00000        0.79194        0.00000 )
+      Ez  (        0.00000        0.00000        0.10475 )
+           atom      4   C  Mean Z*:       -0.57329
+      Ex  (       -0.80966        0.00000        0.00000 )
+      Ey  (       -0.00000       -0.80966       -0.00000 )
+      Ez  (        0.00000        0.00000       -0.10055 )
+
+          Effective charges Sum: Mean:       -0.02083
+             -0.03546       -0.00000        0.00000
+              0.00000       -0.03546       -0.00000
+             -0.00000        0.00000        0.00841
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   C  Mean Z*:        0.56808
+      E*x (        0.80080       -0.00000        0.00000 )
+      E*y (        0.00000        0.80080       -0.00000 )
+      E*z (       -0.00000       -0.00000        0.10265 )
+           atom      2   C  Mean Z*:       -0.56808
+      E*x (       -0.80080        0.00000       -0.00000 )
+      E*y (       -0.00000       -0.80080        0.00000 )
+      E*z (        0.00000       -0.00000       -0.10265 )
+           atom      3   C  Mean Z*:        0.56808
+      E*x (        0.80080       -0.00000        0.00000 )
+      E*y (        0.00000        0.80080       -0.00000 )
+      E*z (       -0.00000        0.00000        0.10265 )
+           atom      4   C  Mean Z*:       -0.56808
+      E*x (       -0.80080       -0.00000        0.00000 )
+      E*y (       -0.00000       -0.80080       -0.00000 )
+      E*z (        0.00000        0.00000       -0.10265 )
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    13.2 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.129E-04
+
+      iter #   2 total cpu time :    13.6 secs   av.it.:   7.2
+      thresh= 1.459E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.758E-04
+
+      iter #   3 total cpu time :    13.9 secs   av.it.:   6.5
+      thresh= 1.661E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.175E-09
+
+      iter #   4 total cpu time :    14.4 secs   av.it.:   7.3
+      thresh= 6.461E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.861E-10
+
+      iter #   5 total cpu time :    14.7 secs   av.it.:   6.7
+      thresh= 1.364E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.218E-12
+
+      iter #   6 total cpu time :    15.1 secs   av.it.:   6.7
+      thresh= 2.494E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.382E-13
+
+      iter #   7 total cpu time :    15.5 secs   av.it.:   6.7
+      thresh= 3.717E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.996E-15
+
+      iter #   8 total cpu time :    15.9 secs   av.it.:   6.7
+      thresh= 5.473E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    16.4 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.134E-04
+
+      iter #   2 total cpu time :    16.7 secs   av.it.:   7.2
+      thresh= 1.461E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.762E-04
+
+      iter #   3 total cpu time :    17.1 secs   av.it.:   6.5
+      thresh= 1.662E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.798E-09
+
+      iter #   4 total cpu time :    17.5 secs   av.it.:   7.4
+      thresh= 6.163E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.762E-10
+
+      iter #   5 total cpu time :    17.8 secs   av.it.:   6.7
+      thresh= 1.327E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.621E-12
+
+      iter #   6 total cpu time :    18.2 secs   av.it.:   6.7
+      thresh= 2.371E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.368E-13
+
+      iter #   7 total cpu time :    18.6 secs   av.it.:   6.7
+      thresh= 3.699E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.628E-15
+
+      iter #   8 total cpu time :    18.9 secs   av.it.:   6.6
+      thresh= 5.127E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.515E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    19.7 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.721E-07
+
+      iter #   2 total cpu time :    20.5 secs   av.it.:   8.9
+      thresh= 5.217E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.956E-09
+
+      iter #   3 total cpu time :    21.4 secs   av.it.:   8.2
+      thresh= 4.423E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.199E-10
+
+      iter #   4 total cpu time :    22.2 secs   av.it.:   7.1
+      thresh= 1.095E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.758E-14
+
+      iter #   5 total cpu time :    23.0 secs   av.it.:   8.2
+      thresh= 2.600E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.712E-15
+
+      iter #   6 total cpu time :    23.8 secs   av.it.:   8.0
+      thresh= 6.093E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.075E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    24.8 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.842E-07
+
+      iter #   2 total cpu time :    25.7 secs   av.it.:   8.9
+      thresh= 5.331E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.503E-09
+
+      iter #   3 total cpu time :    26.5 secs   av.it.:   8.2
+      thresh= 5.003E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.599E-10
+
+      iter #   4 total cpu time :    27.2 secs   av.it.:   7.0
+      thresh= 1.264E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.091E-14
+
+      iter #   5 total cpu time :    28.0 secs   av.it.:   8.2
+      thresh= 2.256E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.833E-15
+
+      iter #   6 total cpu time :    28.8 secs   av.it.:   7.8
+      thresh= 5.323E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.720E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   7
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    29.3 secs   av.it.:   4.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.767E-06
+
+      iter #   2 total cpu time :    29.7 secs   av.it.:   7.5
+      thresh= 2.601E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.072E-07
+
+      iter #   3 total cpu time :    30.1 secs   av.it.:   7.3
+      thresh= 6.382E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.048E-09
+
+      iter #   4 total cpu time :    30.5 secs   av.it.:   6.9
+      thresh= 3.237E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.677E-11
+
+      iter #   5 total cpu time :    30.8 secs   av.it.:   6.9
+      thresh= 4.095E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.743E-14
+
+      iter #   6 total cpu time :    31.2 secs   av.it.:   6.7
+      thresh= 2.396E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.475E-15
+
+      iter #   7 total cpu time :    31.6 secs   av.it.:   6.5
+      thresh= 3.841E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.007E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    32.0 secs   av.it.:   4.8
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.659E-06
+
+      iter #   2 total cpu time :    32.4 secs   av.it.:   7.5
+      thresh= 2.580E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.004E-07
+
+      iter #   3 total cpu time :    32.7 secs   av.it.:   7.3
+      thresh= 6.328E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.108E-09
+
+      iter #   4 total cpu time :    33.1 secs   av.it.:   6.8
+      thresh= 3.329E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.663E-11
+
+      iter #   5 total cpu time :    33.5 secs   av.it.:   6.8
+      thresh= 4.078E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.031E-14
+
+      iter #   6 total cpu time :    33.9 secs   av.it.:   6.7
+      thresh= 2.243E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.388E-15
+
+      iter #   7 total cpu time :    34.2 secs   av.it.:   6.6
+      thresh= 3.725E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.332E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   7 modes #   9  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    35.1 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.807E-07
+
+      iter #   2 total cpu time :    36.0 secs   av.it.:   8.9
+      thresh= 5.298E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.535E-09
+
+      iter #   3 total cpu time :    36.8 secs   av.it.:   8.2
+      thresh= 5.035E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.607E-10
+
+      iter #   4 total cpu time :    37.5 secs   av.it.:   7.1
+      thresh= 1.268E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.754E-14
+
+      iter #   5 total cpu time :    38.3 secs   av.it.:   8.3
+      thresh= 2.599E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.836E-15
+
+      iter #   6 total cpu time :    39.1 secs   av.it.:   7.9
+      thresh= 6.193E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.754E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   8 modes #  11  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    40.0 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.778E-07
+
+      iter #   2 total cpu time :    40.8 secs   av.it.:   8.9
+      thresh= 5.271E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-09
+
+      iter #   3 total cpu time :    41.6 secs   av.it.:   8.2
+      thresh= 4.394E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.185E-10
+
+      iter #   4 total cpu time :    42.3 secs   av.it.:   7.0
+      thresh= 1.089E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.074E-14
+
+      iter #   5 total cpu time :    43.1 secs   av.it.:   8.2
+      thresh= 2.253E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.504E-15
+
+      iter #   6 total cpu time :    43.9 secs   av.it.:   7.9
+      thresh= 5.004E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.699E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    1
+     List of q in the star:
+          1   0.000000000   0.000000000   0.000000000
+
+          Dielectric constant in cartesian axis 
+
+          (      74.558105274      -0.000000000       0.000000000 )
+          (      -0.000000000      74.558105274       0.000000000 )
+          (       0.000000000       0.000000000       3.597784260 )
+
+          Effective charges (d Force / dE) in cartesian axis without acoustic sum rule applied (asr)
+
+           atom      1   C  Mean Z*:        0.56287
+      Ex  (        0.79194        0.00000       -0.00000 )
+      Ey  (        0.00000        0.79194       -0.00000 )
+      Ez  (        0.00000       -0.00000        0.10475 )
+           atom      2   C  Mean Z*:       -0.57329
+      Ex  (       -0.80966        0.00000       -0.00000 )
+      Ey  (       -0.00000       -0.80966        0.00000 )
+      Ez  (        0.00000       -0.00000       -0.10055 )
+           atom      3   C  Mean Z*:        0.56287
+      Ex  (        0.79194        0.00000        0.00000 )
+      Ey  (        0.00000        0.79194        0.00000 )
+      Ez  (        0.00000        0.00000        0.10475 )
+           atom      4   C  Mean Z*:       -0.57329
+      Ex  (       -0.80966        0.00000        0.00000 )
+      Ey  (       -0.00000       -0.80966       -0.00000 )
+      Ez  (        0.00000        0.00000       -0.10055 )
+
+          Effective charges Sum: Mean:       -0.02083
+             -0.03546       -0.00000        0.00000
+              0.00000       -0.03546       -0.00000
+             -0.00000        0.00000        0.00841
+
+          Effective charges (d Force / dE) in cartesian axis with asr applied: 
+           atom      1   C  Mean Z*:        0.56808
+      E*x (        0.80080       -0.00000        0.00000 )
+      E*y (        0.00000        0.80080       -0.00000 )
+      E*z (       -0.00000       -0.00000        0.10265 )
+           atom      2   C  Mean Z*:       -0.56808
+      E*x (       -0.80080        0.00000       -0.00000 )
+      E*y (       -0.00000       -0.80080        0.00000 )
+      E*z (        0.00000       -0.00000       -0.10265 )
+           atom      3   C  Mean Z*:        0.56808
+      E*x (        0.80080       -0.00000        0.00000 )
+      E*y (        0.00000        0.80080       -0.00000 )
+      E*z (       -0.00000        0.00000        0.10265 )
+           atom      4   C  Mean Z*:       -0.56808
+      E*x (       -0.80080       -0.00000        0.00000 )
+      E*y (       -0.00000       -0.80080       -0.00000 )
+      E*z (        0.00000        0.00000       -0.10265 )
+
+          Effective charges (d P / du) in cartesian axis 
+
+           atom      1   C  
+      Px  (        0.79194        0.00000       -0.00000 )
+      Py  (        0.00000        0.79194        0.00000 )
+      Pz  (       -0.00000       -0.00000        0.10475 )
+           atom      2   C  
+      Px  (       -0.80967        0.00000       -0.00000 )
+      Py  (       -0.00000       -0.80967        0.00000 )
+      Pz  (        0.00000       -0.00000       -0.10054 )
+           atom      3   C  
+      Px  (        0.79194        0.00000       -0.00000 )
+      Py  (        0.00000        0.79194        0.00000 )
+      Pz  (       -0.00000       -0.00000        0.10475 )
+           atom      4   C  
+      Px  (       -0.80967        0.00000        0.00000 )
+      Py  (        0.00000       -0.80967        0.00000 )
+      Pz  (       -0.00000        0.00000       -0.10054 )
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.000000000   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       3.736056 [THz] =     124.621411 [cm-1]
+     freq (    2) =       3.736056 [THz] =     124.621411 [cm-1]
+     freq (    3) =       4.072306 [THz] =     135.837509 [cm-1]
+     freq (    4) =       4.072306 [THz] =     135.837509 [cm-1]
+     freq (    5) =       4.804219 [THz] =     160.251488 [cm-1]
+     freq (    6) =       7.283861 [THz] =     242.963448 [cm-1]
+     freq (    7) =      26.564965 [THz] =     886.111862 [cm-1]
+     freq (    8) =      26.795408 [THz] =     893.798596 [cm-1]
+     freq (    9) =      46.832433 [THz] =    1562.161812 [cm-1]
+     freq (   10) =      46.832433 [THz] =    1562.161812 [cm-1]
+     freq (   11) =      47.160264 [THz] =    1573.097090 [cm-1]
+     freq (   12) =      47.160264 [THz] =    1573.097090 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_6h(6/mmm) point group:
+
+     freq (   1-   2) =        124.6  [cm-1]   --> E_1u            I  
+     freq (   3-   4) =        135.8  [cm-1]   --> E_2g            R  
+     freq (   5-   5) =        160.3  [cm-1]   --> A_2u            I  
+     freq (   6-   6) =        243.0  [cm-1]   --> B_1g               
+     freq (   7-   7) =        886.1  [cm-1]   --> B_1g               
+     freq (   8-   8) =        893.8  [cm-1]   --> A_2u            I  
+     freq (   9-  10) =       1562.2  [cm-1]   --> E_2g            R  
+     freq (  11-  12) =       1573.1  [cm-1]   --> E_1u            I  
+
+     Calculation of q =    0.0000000   0.0000000  -0.1936076
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     10                 1516      823     184
+     Max          45      32     11                 1521      825     193
+     Sum         265     187     61                 9111     4943    1117
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=    80
+                       cart. coord. in units 2pi/alat
+        k(    1) = (   0.0625000   0.1082532   0.0484019), wk =   0.0312500
+        k(    2) = (   0.0625000   0.1082532  -0.1452057), wk =   0.0000000
+        k(    3) = (   0.0625000   0.1082532   0.1452057), wk =   0.0312500
+        k(    4) = (   0.0625000   0.1082532  -0.0484019), wk =   0.0000000
+        k(    5) = (   0.0625000   0.2525907   0.0484019), wk =   0.0625000
+        k(    6) = (   0.0625000   0.2525907  -0.1452057), wk =   0.0000000
+        k(    7) = (   0.0625000   0.2525907   0.1452057), wk =   0.0625000
+        k(    8) = (   0.0625000   0.2525907  -0.0484019), wk =   0.0000000
+        k(    9) = (   0.0625000   0.3969283   0.0484019), wk =   0.0625000
+        k(   10) = (   0.0625000   0.3969283  -0.1452057), wk =   0.0000000
+        k(   11) = (   0.0625000   0.3969283   0.1452057), wk =   0.0625000
+        k(   12) = (   0.0625000   0.3969283  -0.0484019), wk =   0.0000000
+        k(   13) = (   0.0625000   0.5412659   0.0484019), wk =   0.0625000
+        k(   14) = (   0.0625000   0.5412659  -0.1452057), wk =   0.0000000
+        k(   15) = (   0.0625000   0.5412659   0.1452057), wk =   0.0625000
+        k(   16) = (   0.0625000   0.5412659  -0.0484019), wk =   0.0000000
+        k(   17) = (   0.0625000  -0.4690971   0.0484019), wk =   0.0625000
+        k(   18) = (   0.0625000  -0.4690971  -0.1452057), wk =   0.0000000
+        k(   19) = (   0.0625000  -0.4690971   0.1452057), wk =   0.0625000
+        k(   20) = (   0.0625000  -0.4690971  -0.0484019), wk =   0.0000000
+        k(   21) = (   0.0625000  -0.3247595   0.0484019), wk =   0.0625000
+        k(   22) = (   0.0625000  -0.3247595  -0.1452057), wk =   0.0000000
+        k(   23) = (   0.0625000  -0.3247595   0.1452057), wk =   0.0625000
+        k(   24) = (   0.0625000  -0.3247595  -0.0484019), wk =   0.0000000
+        k(   25) = (   0.0625000  -0.1804220   0.0484019), wk =   0.0625000
+        k(   26) = (   0.0625000  -0.1804220  -0.1452057), wk =   0.0000000
+        k(   27) = (   0.0625000  -0.1804220   0.1452057), wk =   0.0625000
+        k(   28) = (   0.0625000  -0.1804220  -0.0484019), wk =   0.0000000
+        k(   29) = (   0.0625000  -0.0360844   0.0484019), wk =   0.0312500
+        k(   30) = (   0.0625000  -0.0360844  -0.1452057), wk =   0.0000000
+        k(   31) = (   0.0625000  -0.0360844   0.1452057), wk =   0.0312500
+        k(   32) = (   0.0625000  -0.0360844  -0.0484019), wk =   0.0000000
+        k(   33) = (   0.1875000   0.3247595   0.0484019), wk =   0.0312500
+        k(   34) = (   0.1875000   0.3247595  -0.1452057), wk =   0.0000000
+        k(   35) = (   0.1875000   0.3247595   0.1452057), wk =   0.0312500
+        k(   36) = (   0.1875000   0.3247595  -0.0484019), wk =   0.0000000
+        k(   37) = (   0.1875000   0.4690971   0.0484019), wk =   0.0625000
+        k(   38) = (   0.1875000   0.4690971  -0.1452057), wk =   0.0000000
+        k(   39) = (   0.1875000   0.4690971   0.1452057), wk =   0.0625000
+        k(   40) = (   0.1875000   0.4690971  -0.0484019), wk =   0.0000000
+        k(   41) = (   0.1875000   0.6134347   0.0484019), wk =   0.0625000
+        k(   42) = (   0.1875000   0.6134347  -0.1452057), wk =   0.0000000
+        k(   43) = (   0.1875000   0.6134347   0.1452057), wk =   0.0625000
+        k(   44) = (   0.1875000   0.6134347  -0.0484019), wk =   0.0000000
+        k(   45) = (   0.1875000  -0.3969283   0.0484019), wk =   0.0625000
+        k(   46) = (   0.1875000  -0.3969283  -0.1452057), wk =   0.0000000
+        k(   47) = (   0.1875000  -0.3969283   0.1452057), wk =   0.0625000
+        k(   48) = (   0.1875000  -0.3969283  -0.0484019), wk =   0.0000000
+        k(   49) = (   0.1875000  -0.2525907   0.0484019), wk =   0.0625000
+        k(   50) = (   0.1875000  -0.2525907  -0.1452057), wk =   0.0000000
+        k(   51) = (   0.1875000  -0.2525907   0.1452057), wk =   0.0625000
+        k(   52) = (   0.1875000  -0.2525907  -0.0484019), wk =   0.0000000
+        k(   53) = (   0.1875000  -0.1082532   0.0484019), wk =   0.0312500
+        k(   54) = (   0.1875000  -0.1082532  -0.1452057), wk =   0.0000000
+        k(   55) = (   0.1875000  -0.1082532   0.1452057), wk =   0.0312500
+        k(   56) = (   0.1875000  -0.1082532  -0.0484019), wk =   0.0000000
+        k(   57) = (   0.3125000   0.5412659   0.0484019), wk =   0.0312500
+        k(   58) = (   0.3125000   0.5412659  -0.1452057), wk =   0.0000000
+        k(   59) = (   0.3125000   0.5412659   0.1452057), wk =   0.0312500
+        k(   60) = (   0.3125000   0.5412659  -0.0484019), wk =   0.0000000
+        k(   61) = (   0.3125000   0.6856034   0.0484019), wk =   0.0625000
+        k(   62) = (   0.3125000   0.6856034  -0.1452057), wk =   0.0000000
+        k(   63) = (   0.3125000   0.6856034   0.1452057), wk =   0.0625000
+        k(   64) = (   0.3125000   0.6856034  -0.0484019), wk =   0.0000000
+        k(   65) = (   0.3125000  -0.3247595   0.0484019), wk =   0.0625000
+        k(   66) = (   0.3125000  -0.3247595  -0.1452057), wk =   0.0000000
+        k(   67) = (   0.3125000  -0.3247595   0.1452057), wk =   0.0625000
+        k(   68) = (   0.3125000  -0.3247595  -0.0484019), wk =   0.0000000
+        k(   69) = (   0.3125000  -0.1804220   0.0484019), wk =   0.0312500
+        k(   70) = (   0.3125000  -0.1804220  -0.1452057), wk =   0.0000000
+        k(   71) = (   0.3125000  -0.1804220   0.1452057), wk =   0.0312500
+        k(   72) = (   0.3125000  -0.1804220  -0.0484019), wk =   0.0000000
+        k(   73) = (   0.4375000   0.7577722   0.0484019), wk =   0.0312500
+        k(   74) = (   0.4375000   0.7577722  -0.1452057), wk =   0.0000000
+        k(   75) = (   0.4375000   0.7577722   0.1452057), wk =   0.0312500
+        k(   76) = (   0.4375000   0.7577722  -0.0484019), wk =   0.0000000
+        k(   77) = (   0.4375000  -0.2525907   0.0484019), wk =   0.0312500
+        k(   78) = (   0.4375000  -0.2525907  -0.1452057), wk =   0.0000000
+        k(   79) = (   0.4375000  -0.2525907   0.1452057), wk =   0.0312500
+        k(   80) = (   0.4375000  -0.2525907  -0.0484019), wk =   0.0000000
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.95 MB
+
+     Estimated total dynamical RAM >      11.73 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.4
+
+     total cpu time spent up to now is        1.0 secs
+
+     End of band structure calculation
+
+          k = 0.0625 0.1083 0.0484 (   600 PWs)   bands (ev):
+
+   -11.7683 -11.3568  -0.7009   1.6374   3.6195   3.6613   4.0550   4.0882
+
+          k = 0.0625 0.1083-0.1452 (   601 PWs)   bands (ev):
+
+   -11.6550 -11.4849  -0.1030   0.8471   3.6326   3.6500   4.0637   4.0775
+
+          k = 0.0625 0.1083 0.1452 (   601 PWs)   bands (ev):
+
+   -11.6550 -11.4849  -0.1030   0.8471   3.6326   3.6500   4.0637   4.0775
+
+          k = 0.0625 0.1083-0.0484 (   600 PWs)   bands (ev):
+
+   -11.7683 -11.3568  -0.7009   1.6374   3.6195   3.6613   4.0550   4.0882
+
+          k = 0.0625 0.2526 0.0484 (   619 PWs)   bands (ev):
+
+   -10.8381 -10.4486   0.4227   1.0007   1.1190   2.6642   2.6678   2.7374
+
+          k = 0.0625 0.2526-0.1452 (   616 PWs)   bands (ev):
+
+   -10.7304 -10.5694   0.9926   1.0366   1.0884   1.9130   2.6859   2.7158
+
+          k = 0.0625 0.2526 0.1452 (   616 PWs)   bands (ev):
+
+   -10.7304 -10.5694   0.9926   1.0366   1.0884   1.9130   2.6859   2.7158
+
+          k = 0.0625 0.2526-0.0484 (   619 PWs)   bands (ev):
+
+   -10.8381 -10.4486   0.4227   1.0007   1.1190   2.6642   2.6678   2.7374
+
+          k = 0.0625 0.3969 0.0484 (   625 PWs)   bands (ev):
+
+    -9.1937  -8.8432  -2.2657  -2.0697   1.4884   1.5786   2.3612   4.3666
+
+          k = 0.0625 0.3969-0.1452 (   627 PWs)   bands (ev):
+
+    -9.0962  -8.9512  -2.2100  -2.1288   1.5145   1.5519   2.8870   3.7073
+
+          k = 0.0625 0.3969 0.1452 (   627 PWs)   bands (ev):
+
+    -9.0962  -8.9512  -2.2100  -2.1288   1.5145   1.5519   2.8870   3.7073
+
+          k = 0.0625 0.3969-0.0484 (   625 PWs)   bands (ev):
+
+    -9.1937  -8.8432  -2.2657  -2.0697   1.4884   1.5786   2.3612   4.3666
+
+          k = 0.0625 0.5413 0.0484 (   627 PWs)   bands (ev):
+
+    -6.9723  -6.7074  -5.2419  -5.0199   0.9393   1.0349   4.6390   5.7223
+
+          k = 0.0625 0.5413-0.1452 (   624 PWs)   bands (ev):
+
+    -6.8959  -6.7860  -5.1827  -5.0905   0.9669   1.0065   5.0039   5.4713
+
+          k = 0.0625 0.5413 0.1452 (   624 PWs)   bands (ev):
+
+    -6.8959  -6.7860  -5.1827  -5.0905   0.9669   1.0065   5.0039   5.4713
+
+          k = 0.0625 0.5413-0.0484 (   627 PWs)   bands (ev):
+
+    -6.9723  -6.7074  -5.2419  -5.0199   0.9393   1.0349   4.6390   5.7223
+
+          k = 0.0625-0.4691 0.0484 (   626 PWs)   bands (ev):
+
+    -8.1286  -7.8054  -3.8503  -3.6231   1.1249   1.2188   3.5443   5.2640
+
+          k = 0.0625-0.4691-0.1452 (   627 PWs)   bands (ev):
+
+    -8.0381  -7.9044  -3.7862  -3.6922   1.1520   1.1909   4.0165   4.7279
+
+          k = 0.0625-0.4691 0.1452 (   627 PWs)   bands (ev):
+
+    -8.0381  -7.9044  -3.7862  -3.6922   1.1520   1.1909   4.0165   4.7279
+
+          k = 0.0625-0.4691-0.0484 (   626 PWs)   bands (ev):
+
+    -8.1286  -7.8054  -3.8503  -3.6231   1.1249   1.2188   3.5443   5.2640
+
+          k = 0.0625-0.3248 0.0484 (   623 PWs)   bands (ev):
+
+   -10.1019  -9.7298  -0.6200  -0.4611   1.3009   2.0126   2.0962   3.4541
+
+          k = 0.0625-0.3248-0.1452 (   624 PWs)   bands (ev):
+
+    -9.9987  -9.8449  -0.5746  -0.5088   1.8575   2.0368   2.0714   2.7352
+
+          k = 0.0625-0.3248 0.1452 (   624 PWs)   bands (ev):
+
+    -9.9987  -9.8449  -0.5746  -0.5088   1.8575   2.0368   2.0714   2.7352
+
+          k = 0.0625-0.3248-0.0484 (   623 PWs)   bands (ev):
+
+   -10.1019  -9.7298  -0.6200  -0.4611   1.3009   2.0126   2.0962   3.4541
+
+          k = 0.0625-0.1804 0.0484 (   613 PWs)   bands (ev):
+
+   -11.3950 -10.9923  -0.2485   2.0540   2.4729   2.5473   3.3864   3.4392
+
+          k = 0.0625-0.1804-0.1452 (   607 PWs)   bands (ev):
+
+   -11.2839 -11.1175   0.3411   1.2771   2.4952   2.5259   3.4012   3.4231
+
+          k = 0.0625-0.1804 0.1452 (   607 PWs)   bands (ev):
+
+   -11.2839 -11.1175   0.3411   1.2771   2.4952   2.5259   3.4012   3.4231
+
+          k = 0.0625-0.1804-0.0484 (   613 PWs)   bands (ev):
+
+   -11.3950 -10.9923  -0.2485   2.0540   2.4729   2.5473   3.3864   3.4392
+
+          k = 0.0625-0.0361 0.0484 (   596 PWs)   bands (ev):
+
+   -11.9555 -11.5395  -0.9285   1.4269   4.2682   4.3112   4.4462   4.4849
+
+          k = 0.0625-0.0361-0.1452 (   604 PWs)   bands (ev):
+
+   -11.8411 -11.6692  -0.3266   0.6302   4.2807   4.2985   4.4574   4.4735
+
+          k = 0.0625-0.0361 0.1452 (   604 PWs)   bands (ev):
+
+   -11.8411 -11.6692  -0.3266   0.6302   4.2807   4.2985   4.4574   4.4735
+
+          k = 0.0625-0.0361-0.0484 (   596 PWs)   bands (ev):
+
+   -11.9555 -11.5395  -0.9285   1.4269   4.2682   4.3112   4.4462   4.4849
+
+          k = 0.1875 0.3248 0.0484 (   622 PWs)   bands (ev):
+
+    -9.5562  -9.1970  -0.8451  -0.7564   0.5809   0.6462   1.9513   4.0358
+
+          k = 0.1875 0.3248-0.1452 (   625 PWs)   bands (ev):
+
+    -9.4564  -9.3079  -0.8177  -0.7810   0.5967   0.6238   2.4926   3.3432
+
+          k = 0.1875 0.3248 0.1452 (   625 PWs)   bands (ev):
+
+    -9.4564  -9.3079  -0.8177  -0.7810   0.5967   0.6238   2.4926   3.3432
+
+          k = 0.1875 0.3248-0.0484 (   622 PWs)   bands (ev):
+
+    -9.5562  -9.1970  -0.8451  -0.7564   0.5809   0.6462   1.9513   4.0358
+
+          k = 0.1875 0.4691 0.0484 (   630 PWs)   bands (ev):
+
+    -7.6107  -7.3008  -3.5011  -3.3035  -0.7451  -0.6098   4.1750   5.8577
+
+          k = 0.1875 0.4691-0.1452 (   627 PWs)   bands (ev):
+
+    -7.5238  -7.3956  -3.4448  -3.3630  -0.7073  -0.6513   4.6355   5.3307
+
+          k = 0.1875 0.4691 0.1452 (   627 PWs)   bands (ev):
+
+    -7.5238  -7.3956  -3.4448  -3.3630  -0.7073  -0.6513   4.6355   5.3307
+
+          k = 0.1875 0.4691-0.0484 (   630 PWs)   bands (ev):
+
+    -7.6107  -7.3008  -3.5011  -3.3035  -0.7451  -0.6098   4.1750   5.8577
+
+          k = 0.1875 0.6134 0.0484 (   629 PWs)   bands (ev):
+
+    -6.4811  -6.2289  -4.8066  -4.6044  -0.9746  -0.8282   5.2933   6.3772
+
+          k = 0.1875 0.6134-0.1452 (   629 PWs)   bands (ev):
+
+    -6.4082  -6.3035  -4.7525  -4.6684  -0.9333  -0.8727   5.6581   6.1277
+
+          k = 0.1875 0.6134 0.1452 (   629 PWs)   bands (ev):
+
+    -6.4082  -6.3035  -4.7525  -4.6684  -0.9333  -0.8727   5.6581   6.1277
+
+          k = 0.1875 0.6134-0.0484 (   629 PWs)   bands (ev):
+
+    -6.4811  -6.2289  -4.8066  -4.6044  -0.9746  -0.8282   5.2933   6.3772
+
+          k = 0.1875-0.3969 0.0484 (   628 PWs)   bands (ev):
+
+    -8.6588  -8.3213  -2.0965  -1.9539  -0.2498  -0.1455   2.9986   4.9378
+
+          k = 0.1875-0.3969-0.1452 (   629 PWs)   bands (ev):
+
+    -8.5647  -8.4251  -2.0546  -1.9954  -0.2220  -0.1787   3.5089   4.3027
+
+          k = 0.1875-0.3969 0.1452 (   629 PWs)   bands (ev):
+
+    -8.5647  -8.4251  -2.0546  -1.9954  -0.2220  -0.1787   3.5089   4.3027
+
+          k = 0.1875-0.3969-0.0484 (   628 PWs)   bands (ev):
+
+    -8.6588  -8.3213  -2.0965  -1.9539  -0.2498  -0.1455   2.9986   4.9378
+
+          k = 0.1875-0.2526 0.0484 (   622 PWs)   bands (ev):
+
+   -10.2855  -9.9090   0.1297   0.2379   1.0852   1.6591   1.7338   3.2653
+
+          k = 0.1875-0.2526-0.1452 (   619 PWs)   bands (ev):
+
+   -10.1812 -10.0256   0.1615   0.2062   1.6472   1.6797   1.7106   2.5357
+
+          k = 0.1875-0.2526 0.1452 (   619 PWs)   bands (ev):
+
+   -10.1812 -10.0256   0.1615   0.2062   1.6472   1.6797   1.7106   2.5357
+
+          k = 0.1875-0.2526-0.0484 (   622 PWs)   bands (ev):
+
+   -10.2855  -9.9090   0.1297   0.2379   1.0852   1.6591   1.7338   3.2653
+
+          k = 0.1875-0.1083 0.0484 (   618 PWs)   bands (ev):
+
+   -11.2089 -10.8106  -0.0238   1.8244   1.9329   2.2600   3.2682   3.3340
+
+          k = 0.1875-0.1083-0.1452 (   611 PWs)   bands (ev):
+
+   -11.0990 -10.9344   0.5613   1.4892   1.8569   1.9012   3.2874   3.3147
+
+          k = 0.1875-0.1083 0.1452 (   611 PWs)   bands (ev):
+
+   -11.0990 -10.9344   0.5613   1.4892   1.8569   1.9012   3.2874   3.3147
+
+          k = 0.1875-0.1083-0.0484 (   618 PWs)   bands (ev):
+
+   -11.2089 -10.8106  -0.0238   1.8244   1.9329   2.2600   3.2682   3.3340
+
+          k = 0.3125 0.5413 0.0484 (   629 PWs)   bands (ev):
+
+    -5.5530  -5.3297  -4.5078  -4.3771  -2.7518  -2.6902   6.4388   7.5159
+
+          k = 0.3125 0.5413-0.1452 (   618 PWs)   bands (ev):
+
+    -5.4877  -5.3950  -4.4693  -4.4154  -2.7414  -2.7157   6.8106   7.2803
+
+          k = 0.3125 0.5413 0.1452 (   618 PWs)   bands (ev):
+
+    -5.4877  -5.3950  -4.4693  -4.4154  -2.7414  -2.7157   6.8106   7.2803
+
+          k = 0.3125 0.5413-0.0484 (   629 PWs)   bands (ev):
+
+    -5.5530  -5.3297  -4.5078  -4.3771  -2.7518  -2.6902   6.4388   7.5159
+
+          k = 0.3125 0.6856 0.0484 (   629 PWs)   bands (ev):
+
+    -6.6101  -6.3320  -3.9565  -3.7895  -1.9527  -1.8255   5.2939   6.7222
+
+          k = 0.3125 0.6856-0.1452 (   623 PWs)   bands (ev):
+
+    -6.5315  -6.4164  -3.9080  -3.8387  -1.9197  -1.8669   5.7061   6.3037
+
+          k = 0.3125 0.6856 0.1452 (   623 PWs)   bands (ev):
+
+    -6.5315  -6.4164  -3.9080  -3.8387  -1.9197  -1.8669   5.7061   6.3037
+
+          k = 0.3125 0.6856-0.0484 (   629 PWs)   bands (ev):
+
+    -6.6101  -6.3320  -3.9565  -3.7895  -1.9527  -1.8255   5.2939   6.7222
+
+          k = 0.3125-0.3248 0.0484 (   626 PWs)   bands (ev):
+
+    -8.4807  -8.1477  -2.9478  -2.7455   0.4877   0.6018   3.1842   5.0554
+
+          k = 0.3125-0.3248-0.1452 (   630 PWs)   bands (ev):
+
+    -8.3877  -8.2500  -2.8903  -2.8065   0.5203   0.5676   3.6825   4.4507
+
+          k = 0.3125-0.3248 0.1452 (   630 PWs)   bands (ev):
+
+    -8.3877  -8.2500  -2.8903  -2.8065   0.5203   0.5676   3.6825   4.4507
+
+          k = 0.3125-0.3248-0.0484 (   626 PWs)   bands (ev):
+
+    -8.4807  -8.1477  -2.9478  -2.7455   0.4877   0.6018   3.1842   5.0554
+
+          k = 0.3125-0.1804 0.0484 (   619 PWs)   bands (ev):
+
+    -9.7366  -9.3731  -1.4718  -1.2897   1.7289   2.0282   2.1071   3.8255
+
+          k = 0.3125-0.1804-0.1452 (   622 PWs)   bands (ev):
+
+    -9.6357  -9.4854  -1.4199  -1.3445   2.0511   2.0837   2.2737   3.1293
+
+          k = 0.3125-0.1804 0.1452 (   622 PWs)   bands (ev):
+
+    -9.6357  -9.4854  -1.4199  -1.3445   2.0511   2.0837   2.2737   3.1293
+
+          k = 0.3125-0.1804-0.0484 (   619 PWs)   bands (ev):
+
+    -9.7366  -9.3731  -1.4718  -1.2897   1.7289   2.0282   2.1071   3.8255
+
+          k = 0.4375 0.7578 0.0484 (   625 PWs)   bands (ev):
+
+    -6.4178  -6.2624  -5.3685  -5.2575   0.0981   0.2199   5.1298   5.9604
+
+          k = 0.4375 0.7578-0.1452 (   626 PWs)   bands (ev):
+
+    -6.3640  -6.2982  -5.3522  -5.3047   0.1330   0.1835   5.4510   5.8166
+
+          k = 0.4375 0.7578 0.1452 (   626 PWs)   bands (ev):
+
+    -6.3640  -6.2982  -5.3522  -5.3047   0.1330   0.1835   5.4510   5.8166
+
+          k = 0.4375 0.7578-0.0484 (   625 PWs)   bands (ev):
+
+    -6.4178  -6.2624  -5.3685  -5.2575   0.0981   0.2199   5.1298   5.9604
+
+          k = 0.4375-0.2526 0.0484 (   626 PWs)   bands (ev):
+
+    -7.6139  -7.3083  -4.6443  -4.4057   1.3169   1.4008   4.0511   5.5077
+
+          k = 0.4375-0.2526-0.1452 (   623 PWs)   bands (ev):
+
+    -7.5280  -7.4015  -4.5777  -4.4789   1.3412   1.3760   4.4791   5.0912
+
+          k = 0.4375-0.2526 0.1452 (   623 PWs)   bands (ev):
+
+    -7.5280  -7.4015  -4.5777  -4.4789   1.3412   1.3760   4.4791   5.0912
+
+          k = 0.4375-0.2526-0.0484 (   626 PWs)   bands (ev):
+
+    -7.6139  -7.3083  -4.6443  -4.4057   1.3169   1.4008   4.0511   5.5077
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.0000000  -0.1936076 )
+
+     25 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=    80
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+
+     Atomic displacements:
+     There are    4 irreducible representations
+
+     Representation     1      4 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      4 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :     43.49s CPU     45.64s WALL
+
+
+
+     Representation #   1 modes #   1   2   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    46.8 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.059E-08
+
+      iter #   2 total cpu time :    48.6 secs   av.it.:   9.6
+      thresh= 2.657E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.308E-10
+
+      iter #   3 total cpu time :    50.4 secs   av.it.:   8.8
+      thresh= 2.512E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.008E-11
+
+      iter #   4 total cpu time :    51.9 secs   av.it.:   7.8
+      thresh= 6.331E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.453E-14
+
+      iter #   5 total cpu time :    53.6 secs   av.it.:   8.9
+      thresh= 1.206E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.184E-16
+
+      iter #   6 total cpu time :    55.3 secs   av.it.:   8.7
+      thresh= 2.861E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.681E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    56.1 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.560E-04
+
+      iter #   2 total cpu time :    56.9 secs   av.it.:   7.8
+      thresh= 1.600E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.117E-04
+
+      iter #   3 total cpu time :    57.6 secs   av.it.:   6.7
+      thresh= 2.668E-03 alpha_mix =  0.700 |ddv_scf|^2 =  5.968E-07
+
+      iter #   4 total cpu time :    58.4 secs   av.it.:   7.6
+      thresh= 7.726E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.417E-09
+
+      iter #   5 total cpu time :    59.2 secs   av.it.:   8.5
+      thresh= 4.916E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.288E-10
+
+      iter #   6 total cpu time :    60.0 secs   av.it.:   8.3
+      thresh= 2.071E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.650E-12
+
+      iter #   7 total cpu time :    60.8 secs   av.it.:   8.3
+      thresh= 2.377E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.846E-13
+
+      iter #   8 total cpu time :    61.5 secs   av.it.:   7.1
+      thresh= 8.858E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.157E-15
+
+      iter #   9 total cpu time :    62.3 secs   av.it.:   7.2
+      thresh= 3.401E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.245E-16
+
+      iter #  10 total cpu time :    63.1 secs   av.it.:   8.1
+      thresh= 1.116E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.797E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   7   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    63.7 secs   av.it.:   5.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.518E-04
+
+      iter #   2 total cpu time :    64.5 secs   av.it.:   7.8
+      thresh= 1.587E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.015E-04
+
+      iter #   3 total cpu time :    65.2 secs   av.it.:   6.7
+      thresh= 2.649E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.149E-07
+
+      iter #   4 total cpu time :    66.0 secs   av.it.:   7.7
+      thresh= 7.842E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.591E-09
+
+      iter #   5 total cpu time :    66.8 secs   av.it.:   8.5
+      thresh= 5.090E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.340E-10
+
+      iter #   6 total cpu time :    67.6 secs   av.it.:   8.3
+      thresh= 2.083E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.654E-12
+
+      iter #   7 total cpu time :    68.4 secs   av.it.:   8.3
+      thresh= 2.378E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.594E-13
+
+      iter #   8 total cpu time :    69.1 secs   av.it.:   7.2
+      thresh= 9.270E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.292E-15
+
+      iter #   9 total cpu time :    69.9 secs   av.it.:   7.3
+      thresh= 3.595E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.395E-16
+
+      iter #  10 total cpu time :    70.7 secs   av.it.:   8.0
+      thresh= 1.181E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.468E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   9  10  11  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    71.8 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.874E-08
+
+      iter #   2 total cpu time :    73.6 secs   av.it.:   9.6
+      thresh= 2.622E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.876E-10
+
+      iter #   3 total cpu time :    75.3 secs   av.it.:   9.0
+      thresh= 2.208E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.989E-11
+
+      iter #   4 total cpu time :    76.9 secs   av.it.:   8.0
+      thresh= 5.468E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.463E-14
+
+      iter #   5 total cpu time :    78.7 secs   av.it.:   9.0
+      thresh= 1.210E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.652E-16
+
+      iter #   6 total cpu time :    80.4 secs   av.it.:   8.8
+      thresh= 2.766E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.501E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    1
+     List of q in the star:
+          1   0.000000000   0.000000000  -0.193607630
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.000000000  -0.193607630 ) 
+
+ **************************************************************************
+     freq (    1) =       3.921647 [THz] =     130.812070 [cm-1]
+     freq (    2) =       3.921647 [THz] =     130.812070 [cm-1]
+     freq (    3) =       3.921647 [THz] =     130.812070 [cm-1]
+     freq (    4) =       3.921647 [THz] =     130.812070 [cm-1]
+     freq (    5) =       6.164295 [THz] =     205.618739 [cm-1]
+     freq (    6) =       6.164295 [THz] =     205.618739 [cm-1]
+     freq (    7) =      26.696872 [THz] =     890.511802 [cm-1]
+     freq (    8) =      26.696872 [THz] =     890.511802 [cm-1]
+     freq (    9) =      47.021008 [THz] =    1568.452011 [cm-1]
+     freq (   10) =      47.021008 [THz] =    1568.452011 [cm-1]
+     freq (   11) =      47.021008 [THz] =    1568.452011 [cm-1]
+     freq (   12) =      47.021008 [THz] =    1568.452011 [cm-1]
+ **************************************************************************
+
+     Calculation of q =    0.0000000   0.2886751   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     12                 1516      823     218
+     Max          45      32     13                 1521      825     225
+     Sum         265     187     73                 9111     4943    1323
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   400
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.96 MB
+
+     Estimated total dynamical RAM >      11.75 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.4
+
+     total cpu time spent up to now is        6.3 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.2886751   0.0000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   400
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are   12 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+     Representation     7      1 modes -  To be done
+
+     Representation     8      1 modes -  To be done
+
+     Representation     9      1 modes -  To be done
+
+     Representation    10      1 modes -  To be done
+
+     Representation    11      1 modes -  To be done
+
+     Representation    12      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :   1m23.17s CPU   1m27.28s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :    88.9 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.433E-04
+
+      iter #   2 total cpu time :    90.8 secs   av.it.:   7.4
+      thresh= 2.105E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.772E-03
+
+      iter #   3 total cpu time :    92.6 secs   av.it.:   5.9
+      thresh= 6.141E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.546E-06
+
+      iter #   4 total cpu time :    94.6 secs   av.it.:   7.1
+      thresh= 3.090E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.670E-07
+
+      iter #   5 total cpu time :    96.6 secs   av.it.:   7.6
+      thresh= 4.087E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.134E-08
+
+      iter #   6 total cpu time :    98.6 secs   av.it.:   7.9
+      thresh= 1.065E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.959E-10
+
+      iter #   7 total cpu time :   100.5 secs   av.it.:   7.6
+      thresh= 1.400E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.971E-11
+
+      iter #   8 total cpu time :   102.5 secs   av.it.:   7.0
+      thresh= 7.727E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.722E-10
+
+      iter #   9 total cpu time :   104.2 secs   av.it.:   6.1
+      thresh= 1.312E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.534E-11
+
+      iter #  10 total cpu time :   105.9 secs   av.it.:   6.3
+      thresh= 5.944E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.052E-12
+
+      iter #  11 total cpu time :   107.8 secs   av.it.:   7.3
+      thresh= 1.026E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.395E-13
+
+      iter #  12 total cpu time :   109.9 secs   av.it.:   7.9
+      thresh= 4.894E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.463E-14
+
+      iter #  13 total cpu time :   111.9 secs   av.it.:   7.8
+      thresh= 1.569E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.146E-16
+
+      iter #  14 total cpu time :   113.8 secs   av.it.:   7.4
+      thresh= 2.673E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.948E-16
+
+      iter #  15 total cpu time :   115.6 secs   av.it.:   6.5
+      thresh= 2.991E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.689E-15
+
+      iter #  16 total cpu time :   117.2 secs   av.it.:   6.1
+      thresh= 4.109E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.572E-16
+
+      iter #  17 total cpu time :   119.0 secs   av.it.:   6.8
+      thresh= 1.254E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.171E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   120.7 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.350E-04
+
+      iter #   2 total cpu time :   122.7 secs   av.it.:   7.4
+      thresh= 2.086E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.692E-03
+
+      iter #   3 total cpu time :   124.4 secs   av.it.:   5.9
+      thresh= 6.076E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.466E-06
+
+      iter #   4 total cpu time :   126.4 secs   av.it.:   7.2
+      thresh= 3.077E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.693E-07
+
+      iter #   5 total cpu time :   128.4 secs   av.it.:   7.5
+      thresh= 4.115E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.081E-08
+
+      iter #   6 total cpu time :   130.4 secs   av.it.:   7.9
+      thresh= 1.040E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.528E-10
+
+      iter #   7 total cpu time :   132.3 secs   av.it.:   7.6
+      thresh= 1.236E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.926E-11
+
+      iter #   8 total cpu time :   134.2 secs   av.it.:   7.3
+      thresh= 4.388E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.189E-11
+
+      iter #   9 total cpu time :   136.0 secs   av.it.:   6.7
+      thresh= 4.678E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.317E-11
+
+      iter #  10 total cpu time :   137.8 secs   av.it.:   6.2
+      thresh= 4.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.659E-13
+
+      iter #  11 total cpu time :   139.8 secs   av.it.:   7.2
+      thresh= 6.049E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.950E-14
+
+      iter #  12 total cpu time :   141.9 secs   av.it.:   7.8
+      thresh= 2.992E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.826E-15
+
+      iter #  13 total cpu time :   143.9 secs   av.it.:   7.8
+      thresh= 9.913E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.230E-16
+
+      iter #  14 total cpu time :   145.9 secs   av.it.:   7.4
+      thresh= 1.797E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.390E-16
+
+      iter #  15 total cpu time :   147.6 secs   av.it.:   6.7
+      thresh= 2.095E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.693E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   149.3 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.350E-04
+
+      iter #   2 total cpu time :   151.3 secs   av.it.:   7.4
+      thresh= 2.086E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.692E-03
+
+      iter #   3 total cpu time :   152.9 secs   av.it.:   5.9
+      thresh= 6.076E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.466E-06
+
+      iter #   4 total cpu time :   154.8 secs   av.it.:   7.2
+      thresh= 3.077E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.693E-07
+
+      iter #   5 total cpu time :   156.7 secs   av.it.:   7.5
+      thresh= 4.115E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.081E-08
+
+      iter #   6 total cpu time :   158.7 secs   av.it.:   7.9
+      thresh= 1.040E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.528E-10
+
+      iter #   7 total cpu time :   160.7 secs   av.it.:   7.6
+      thresh= 1.236E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.926E-11
+
+      iter #   8 total cpu time :   162.6 secs   av.it.:   7.3
+      thresh= 4.388E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.189E-11
+
+      iter #   9 total cpu time :   164.4 secs   av.it.:   6.7
+      thresh= 4.678E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.317E-11
+
+      iter #  10 total cpu time :   166.1 secs   av.it.:   6.2
+      thresh= 4.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.659E-13
+
+      iter #  11 total cpu time :   168.0 secs   av.it.:   7.2
+      thresh= 6.049E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.950E-14
+
+      iter #  12 total cpu time :   170.0 secs   av.it.:   7.8
+      thresh= 2.992E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.826E-15
+
+      iter #  13 total cpu time :   172.0 secs   av.it.:   7.8
+      thresh= 9.913E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.230E-16
+
+      iter #  14 total cpu time :   173.9 secs   av.it.:   7.4
+      thresh= 1.797E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.390E-16
+
+      iter #  15 total cpu time :   175.6 secs   av.it.:   6.7
+      thresh= 2.095E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.693E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   177.3 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.433E-04
+
+      iter #   2 total cpu time :   179.2 secs   av.it.:   7.4
+      thresh= 2.105E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.772E-03
+
+      iter #   3 total cpu time :   180.8 secs   av.it.:   5.9
+      thresh= 6.141E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.546E-06
+
+      iter #   4 total cpu time :   182.7 secs   av.it.:   7.1
+      thresh= 3.090E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.670E-07
+
+      iter #   5 total cpu time :   184.6 secs   av.it.:   7.6
+      thresh= 4.087E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.134E-08
+
+      iter #   6 total cpu time :   186.6 secs   av.it.:   7.9
+      thresh= 1.065E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.959E-10
+
+      iter #   7 total cpu time :   188.5 secs   av.it.:   7.6
+      thresh= 1.400E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.971E-11
+
+      iter #   8 total cpu time :   190.4 secs   av.it.:   7.0
+      thresh= 7.727E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.722E-10
+
+      iter #   9 total cpu time :   192.0 secs   av.it.:   6.1
+      thresh= 1.312E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.534E-11
+
+      iter #  10 total cpu time :   193.8 secs   av.it.:   6.3
+      thresh= 5.944E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.052E-12
+
+      iter #  11 total cpu time :   195.7 secs   av.it.:   7.3
+      thresh= 1.026E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.395E-13
+
+      iter #  12 total cpu time :   197.8 secs   av.it.:   7.9
+      thresh= 4.894E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.463E-14
+
+      iter #  13 total cpu time :   199.8 secs   av.it.:   7.8
+      thresh= 1.569E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.146E-16
+
+      iter #  14 total cpu time :   201.8 secs   av.it.:   7.4
+      thresh= 2.673E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.948E-16
+
+      iter #  15 total cpu time :   203.6 secs   av.it.:   6.5
+      thresh= 2.991E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.689E-15
+
+      iter #  16 total cpu time :   205.2 secs   av.it.:   6.1
+      thresh= 4.109E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.572E-16
+
+      iter #  17 total cpu time :   207.1 secs   av.it.:   6.8
+      thresh= 1.254E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.171E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   208.6 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.690E-06
+
+      iter #   2 total cpu time :   210.7 secs   av.it.:   8.1
+      thresh= 1.300E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.161E-08
+
+      iter #   3 total cpu time :   212.6 secs   av.it.:   7.5
+      thresh= 1.078E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.033E-10
+
+      iter #   4 total cpu time :   214.4 secs   av.it.:   7.0
+      thresh= 3.005E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.320E-12
+
+      iter #   5 total cpu time :   216.4 secs   av.it.:   7.7
+      thresh= 1.822E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.339E-14
+
+      iter #   6 total cpu time :   218.3 secs   av.it.:   7.2
+      thresh= 1.157E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.079E-16
+
+      iter #   7 total cpu time :   220.2 secs   av.it.:   7.2
+      thresh= 2.254E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.557E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   221.8 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.659E-06
+
+      iter #   2 total cpu time :   223.9 secs   av.it.:   8.1
+      thresh= 1.288E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.253E-09
+
+      iter #   3 total cpu time :   225.9 secs   av.it.:   7.7
+      thresh= 9.619E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.740E-10
+
+      iter #   4 total cpu time :   227.7 secs   av.it.:   7.0
+      thresh= 2.596E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.500E-12
+
+      iter #   5 total cpu time :   229.7 secs   av.it.:   7.7
+      thresh= 1.871E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-14
+
+      iter #   6 total cpu time :   231.5 secs   av.it.:   7.2
+      thresh= 1.118E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.957E-16
+
+      iter #   7 total cpu time :   233.4 secs   av.it.:   7.2
+      thresh= 2.226E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.349E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   7 mode #   7
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   235.0 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.690E-06
+
+      iter #   2 total cpu time :   237.1 secs   av.it.:   8.1
+      thresh= 1.300E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.161E-08
+
+      iter #   3 total cpu time :   239.0 secs   av.it.:   7.5
+      thresh= 1.078E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.033E-10
+
+      iter #   4 total cpu time :   240.9 secs   av.it.:   7.0
+      thresh= 3.005E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.320E-12
+
+      iter #   5 total cpu time :   243.0 secs   av.it.:   7.7
+      thresh= 1.822E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.339E-14
+
+      iter #   6 total cpu time :   244.9 secs   av.it.:   7.2
+      thresh= 1.157E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.079E-16
+
+      iter #   7 total cpu time :   246.8 secs   av.it.:   7.2
+      thresh= 2.254E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.557E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   8 mode #   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   248.3 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.659E-06
+
+      iter #   2 total cpu time :   250.4 secs   av.it.:   8.1
+      thresh= 1.288E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.253E-09
+
+      iter #   3 total cpu time :   252.4 secs   av.it.:   7.7
+      thresh= 9.619E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.740E-10
+
+      iter #   4 total cpu time :   254.2 secs   av.it.:   7.0
+      thresh= 2.596E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.500E-12
+
+      iter #   5 total cpu time :   256.2 secs   av.it.:   7.7
+      thresh= 1.871E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-14
+
+      iter #   6 total cpu time :   258.0 secs   av.it.:   7.2
+      thresh= 1.118E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.957E-16
+
+      iter #   7 total cpu time :   259.9 secs   av.it.:   7.2
+      thresh= 2.226E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.349E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   9 mode #   9
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   261.6 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.211E-05
+
+      iter #   2 total cpu time :   263.6 secs   av.it.:   7.8
+      thresh= 4.702E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.305E-06
+
+      iter #   3 total cpu time :   265.5 secs   av.it.:   7.1
+      thresh= 2.703E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.642E-09
+
+      iter #   4 total cpu time :   267.5 secs   av.it.:   7.7
+      thresh= 8.742E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.887E-10
+
+      iter #   5 total cpu time :   269.4 secs   av.it.:   7.2
+      thresh= 1.699E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.656E-12
+
+      iter #   6 total cpu time :   271.2 secs   av.it.:   7.1
+      thresh= 2.378E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.444E-14
+
+      iter #   7 total cpu time :   273.0 secs   av.it.:   6.8
+      thresh= 2.728E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.527E-15
+
+      iter #   8 total cpu time :   274.8 secs   av.it.:   6.9
+      thresh= 5.939E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.331E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  10 mode #  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   276.5 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.216E-05
+
+      iter #   2 total cpu time :   278.5 secs   av.it.:   7.8
+      thresh= 4.707E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.266E-06
+
+      iter #   3 total cpu time :   280.4 secs   av.it.:   7.1
+      thresh= 2.695E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.017E-09
+
+      iter #   4 total cpu time :   282.4 secs   av.it.:   7.7
+      thresh= 8.954E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.715E-10
+
+      iter #   5 total cpu time :   284.3 secs   av.it.:   7.1
+      thresh= 1.648E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.323E-12
+
+      iter #   6 total cpu time :   286.1 secs   av.it.:   7.1
+      thresh= 2.307E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.351E-14
+
+      iter #   7 total cpu time :   287.9 secs   av.it.:   6.8
+      thresh= 2.711E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.380E-15
+
+      iter #   8 total cpu time :   289.7 secs   av.it.:   6.8
+      thresh= 5.814E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.203E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  11 mode #  11
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   291.3 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.211E-05
+
+      iter #   2 total cpu time :   293.4 secs   av.it.:   7.8
+      thresh= 4.702E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.305E-06
+
+      iter #   3 total cpu time :   295.2 secs   av.it.:   7.1
+      thresh= 2.703E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.642E-09
+
+      iter #   4 total cpu time :   297.2 secs   av.it.:   7.7
+      thresh= 8.742E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.887E-10
+
+      iter #   5 total cpu time :   299.1 secs   av.it.:   7.2
+      thresh= 1.699E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.656E-12
+
+      iter #   6 total cpu time :   301.0 secs   av.it.:   7.1
+      thresh= 2.378E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.444E-14
+
+      iter #   7 total cpu time :   302.8 secs   av.it.:   6.8
+      thresh= 2.728E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.527E-15
+
+      iter #   8 total cpu time :   304.5 secs   av.it.:   6.9
+      thresh= 5.939E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.331E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  12 mode #  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   306.1 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.216E-05
+
+      iter #   2 total cpu time :   308.1 secs   av.it.:   7.8
+      thresh= 4.707E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.266E-06
+
+      iter #   3 total cpu time :   310.0 secs   av.it.:   7.1
+      thresh= 2.695E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.017E-09
+
+      iter #   4 total cpu time :   312.0 secs   av.it.:   7.7
+      thresh= 8.954E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.715E-10
+
+      iter #   5 total cpu time :   313.9 secs   av.it.:   7.1
+      thresh= 1.648E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.323E-12
+
+      iter #   6 total cpu time :   315.8 secs   av.it.:   7.1
+      thresh= 2.307E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.351E-14
+
+      iter #   7 total cpu time :   317.6 secs   av.it.:   6.8
+      thresh= 2.711E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.380E-15
+
+      iter #   8 total cpu time :   319.4 secs   av.it.:   6.8
+      thresh= 5.814E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.203E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.000000000   0.288675135   0.000000000
+          2   0.000000000  -0.288675135   0.000000000
+          3  -0.250000000  -0.144337567   0.000000000
+          4   0.250000000  -0.144337567   0.000000000
+          5  -0.250000000   0.144337567   0.000000000
+          6   0.250000000   0.144337567   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.288675135   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =       7.000059 [THz] =     233.496818 [cm-1]
+     freq (    2) =       8.575612 [THz] =     286.051611 [cm-1]
+     freq (    3) =      14.394608 [THz] =     480.152451 [cm-1]
+     freq (    4) =      14.427454 [THz] =     481.248061 [cm-1]
+     freq (    5) =      23.909806 [THz] =     797.545273 [cm-1]
+     freq (    6) =      24.046418 [THz] =     802.102153 [cm-1]
+     freq (    7) =      25.067835 [THz] =     836.172975 [cm-1]
+     freq (    8) =      25.215648 [THz] =     841.103464 [cm-1]
+     freq (    9) =      44.257967 [THz] =    1476.286874 [cm-1]
+     freq (   10) =      44.321604 [THz] =    1478.409590 [cm-1]
+     freq (   11) =      47.675863 [THz] =    1590.295604 [cm-1]
+     freq (   12) =      47.775822 [THz] =    1593.629879 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =        233.5  [cm-1]   --> B_2  D_4  S_4      
+     freq (   2-   2) =        286.1  [cm-1]   --> B_2  D_4  S_4      
+     freq (   3-   3) =        480.2  [cm-1]   --> B_1  D_3  S_3      
+     freq (   4-   4) =        481.2  [cm-1]   --> B_1  D_3  S_3      
+     freq (   5-   5) =        797.5  [cm-1]   --> A_1  D_1  S_1      
+     freq (   6-   6) =        802.1  [cm-1]   --> A_1  D_1  S_1      
+     freq (   7-   7) =        836.2  [cm-1]   --> B_2  D_4  S_4      
+     freq (   8-   8) =        841.1  [cm-1]   --> B_2  D_4  S_4      
+     freq (   9-   9) =       1476.3  [cm-1]   --> B_1  D_3  S_3      
+     freq (  10-  10) =       1478.4  [cm-1]   --> B_1  D_3  S_3      
+     freq (  11-  11) =       1590.3  [cm-1]   --> A_1  D_1  S_1      
+     freq (  12-  12) =       1593.6  [cm-1]   --> A_1  D_1  S_1      
+
+     Calculation of q =    0.0000000   0.2886751  -0.1936076
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     12                 1516      823     218
+     Max          45      32     13                 1521      825     225
+     Sum         265     187     73                 9111     4943    1323
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   400
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.96 MB
+
+     Estimated total dynamical RAM >      11.76 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.4
+
+     total cpu time spent up to now is       11.7 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000   0.2886751  -0.1936076 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   400
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are   12 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+     Representation     7      1 modes -  To be done
+
+     Representation     8      1 modes -  To be done
+
+     Representation     9      1 modes -  To be done
+
+     Representation    10      1 modes -  To be done
+
+     Representation    11      1 modes -  To be done
+
+     Representation    12      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :   5m12.00s CPU   5m26.38s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   328.0 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.371E-05
+
+      iter #   2 total cpu time :   330.0 secs   av.it.:   7.9
+      thresh= 8.586E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.481E-04
+
+      iter #   3 total cpu time :   331.9 secs   av.it.:   6.7
+      thresh= 1.575E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.167E-06
+
+      iter #   4 total cpu time :   333.9 secs   av.it.:   7.4
+      thresh= 1.472E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.442E-09
+
+      iter #   5 total cpu time :   335.9 secs   av.it.:   7.5
+      thresh= 7.377E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.015E-10
+
+      iter #   6 total cpu time :   338.0 secs   av.it.:   8.0
+      thresh= 1.420E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.918E-11
+
+      iter #   7 total cpu time :   340.0 secs   av.it.:   7.8
+      thresh= 6.260E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.047E-13
+
+      iter #   8 total cpu time :   341.9 secs   av.it.:   7.4
+      thresh= 7.776E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.243E-13
+
+      iter #   9 total cpu time :   343.8 secs   av.it.:   7.1
+      thresh= 3.525E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.537E-14
+
+      iter #  10 total cpu time :   345.7 secs   av.it.:   7.2
+      thresh= 1.881E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.009E-15
+
+      iter #  11 total cpu time :   347.7 secs   av.it.:   7.6
+      thresh= 3.177E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.266E-16
+
+      iter #  12 total cpu time :   349.5 secs   av.it.:   6.9
+      thresh= 2.065E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.054E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   351.2 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.359E-05
+
+      iter #   2 total cpu time :   353.2 secs   av.it.:   7.9
+      thresh= 8.578E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.487E-04
+
+      iter #   3 total cpu time :   355.0 secs   av.it.:   6.7
+      thresh= 1.577E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.114E-06
+
+      iter #   4 total cpu time :   356.9 secs   av.it.:   7.5
+      thresh= 1.454E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.490E-09
+
+      iter #   5 total cpu time :   358.9 secs   av.it.:   7.5
+      thresh= 7.410E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.787E-10
+
+      iter #   6 total cpu time :   360.9 secs   av.it.:   8.1
+      thresh= 1.337E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.102E-11
+
+      iter #   7 total cpu time :   363.0 secs   av.it.:   7.9
+      thresh= 6.405E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.360E-13
+
+      iter #   8 total cpu time :   365.0 secs   av.it.:   7.5
+      thresh= 7.321E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.475E-14
+
+      iter #   9 total cpu time :   366.9 secs   av.it.:   7.3
+      thresh= 1.214E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.714E-15
+
+      iter #  10 total cpu time :   368.8 secs   av.it.:   7.3
+      thresh= 4.140E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.080E-15
+
+      iter #  11 total cpu time :   370.7 secs   av.it.:   6.9
+      thresh= 3.287E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.308E-16
+
+      iter #  12 total cpu time :   372.5 secs   av.it.:   6.9
+      thresh= 1.144E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.061E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   374.2 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.296E-04
+
+      iter #   2 total cpu time :   376.2 secs   av.it.:   7.8
+      thresh= 1.515E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.021E-03
+
+      iter #   3 total cpu time :   378.0 secs   av.it.:   6.6
+      thresh= 3.196E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.487E-07
+
+      iter #   4 total cpu time :   380.2 secs   av.it.:   8.2
+      thresh= 5.905E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.119E-08
+
+      iter #   5 total cpu time :   382.2 secs   av.it.:   8.0
+      thresh= 1.766E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.026E-10
+
+      iter #   6 total cpu time :   384.4 secs   av.it.:   8.3
+      thresh= 1.423E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.081E-11
+
+      iter #   7 total cpu time :   386.4 secs   av.it.:   8.0
+      thresh= 4.562E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.592E-12
+
+      iter #   8 total cpu time :   388.4 secs   av.it.:   7.5
+      thresh= 1.895E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.483E-12
+
+      iter #   9 total cpu time :   390.3 secs   av.it.:   6.8
+      thresh= 2.342E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.937E-13
+
+      iter #  10 total cpu time :   392.2 secs   av.it.:   7.3
+      thresh= 6.274E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.349E-15
+
+      iter #  11 total cpu time :   394.5 secs   av.it.:   8.4
+      thresh= 8.573E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.731E-15
+
+      iter #  12 total cpu time :   396.6 secs   av.it.:   8.1
+      thresh= 5.226E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.010E-16
+
+      iter #  13 total cpu time :   398.6 secs   av.it.:   8.2
+      thresh= 1.005E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.847E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   400.3 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.341E-04
+
+      iter #   2 total cpu time :   402.3 secs   av.it.:   7.9
+      thresh= 1.530E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.044E-03
+
+      iter #   3 total cpu time :   404.2 secs   av.it.:   6.6
+      thresh= 3.231E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.370E-07
+
+      iter #   4 total cpu time :   406.4 secs   av.it.:   8.2
+      thresh= 5.805E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.207E-08
+
+      iter #   5 total cpu time :   408.6 secs   av.it.:   8.0
+      thresh= 1.791E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.640E-10
+
+      iter #   6 total cpu time :   410.6 secs   av.it.:   8.3
+      thresh= 1.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.456E-11
+
+      iter #   7 total cpu time :   412.6 secs   av.it.:   8.0
+      thresh= 4.956E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.907E-12
+
+      iter #   8 total cpu time :   414.6 secs   av.it.:   7.6
+      thresh= 1.705E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.922E-12
+
+      iter #   9 total cpu time :   416.5 secs   av.it.:   6.9
+      thresh= 1.981E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.710E-13
+
+      iter #  10 total cpu time :   418.5 secs   av.it.:   7.3
+      thresh= 6.091E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.737E-15
+
+      iter #  11 total cpu time :   420.7 secs   av.it.:   8.4
+      thresh= 7.574E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.220E-15
+
+      iter #  12 total cpu time :   422.7 secs   av.it.:   8.1
+      thresh= 4.712E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.472E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   424.3 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.659E-06
+
+      iter #   2 total cpu time :   426.4 secs   av.it.:   8.1
+      thresh= 1.288E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.265E-09
+
+      iter #   3 total cpu time :   428.4 secs   av.it.:   7.7
+      thresh= 9.626E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.761E-10
+
+      iter #   4 total cpu time :   430.3 secs   av.it.:   7.1
+      thresh= 2.600E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.466E-12
+
+      iter #   5 total cpu time :   432.3 secs   av.it.:   7.7
+      thresh= 1.862E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.214E-14
+
+      iter #   6 total cpu time :   434.2 secs   av.it.:   7.4
+      thresh= 1.102E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.375E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   435.8 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.690E-06
+
+      iter #   2 total cpu time :   437.9 secs   av.it.:   8.1
+      thresh= 1.300E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.161E-08
+
+      iter #   3 total cpu time :   439.9 secs   av.it.:   7.5
+      thresh= 1.077E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.038E-10
+
+      iter #   4 total cpu time :   441.8 secs   av.it.:   7.0
+      thresh= 3.006E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.291E-12
+
+      iter #   5 total cpu time :   443.8 secs   av.it.:   7.8
+      thresh= 1.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.300E-14
+
+      iter #   6 total cpu time :   445.8 secs   av.it.:   7.3
+      thresh= 1.140E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.836E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   7 mode #   7
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   447.3 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.690E-06
+
+      iter #   2 total cpu time :   449.4 secs   av.it.:   8.1
+      thresh= 1.300E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.161E-08
+
+      iter #   3 total cpu time :   451.4 secs   av.it.:   7.5
+      thresh= 1.077E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.038E-10
+
+      iter #   4 total cpu time :   453.3 secs   av.it.:   7.0
+      thresh= 3.006E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.291E-12
+
+      iter #   5 total cpu time :   455.3 secs   av.it.:   7.8
+      thresh= 1.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.300E-14
+
+      iter #   6 total cpu time :   457.2 secs   av.it.:   7.3
+      thresh= 1.140E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.836E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   8 mode #   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   458.8 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.659E-06
+
+      iter #   2 total cpu time :   460.8 secs   av.it.:   8.1
+      thresh= 1.288E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.265E-09
+
+      iter #   3 total cpu time :   462.8 secs   av.it.:   7.7
+      thresh= 9.626E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.761E-10
+
+      iter #   4 total cpu time :   464.7 secs   av.it.:   7.1
+      thresh= 2.600E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.466E-12
+
+      iter #   5 total cpu time :   466.6 secs   av.it.:   7.7
+      thresh= 1.862E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.214E-14
+
+      iter #   6 total cpu time :   468.6 secs   av.it.:   7.4
+      thresh= 1.102E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.375E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   9 mode #   9
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   470.3 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.341E-04
+
+      iter #   2 total cpu time :   472.3 secs   av.it.:   7.9
+      thresh= 1.530E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.044E-03
+
+      iter #   3 total cpu time :   474.0 secs   av.it.:   6.6
+      thresh= 3.231E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.370E-07
+
+      iter #   4 total cpu time :   476.1 secs   av.it.:   8.2
+      thresh= 5.805E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.207E-08
+
+      iter #   5 total cpu time :   478.2 secs   av.it.:   8.0
+      thresh= 1.791E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.640E-10
+
+      iter #   6 total cpu time :   480.4 secs   av.it.:   8.3
+      thresh= 1.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.456E-11
+
+      iter #   7 total cpu time :   482.5 secs   av.it.:   8.0
+      thresh= 4.956E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.907E-12
+
+      iter #   8 total cpu time :   484.6 secs   av.it.:   7.6
+      thresh= 1.705E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.922E-12
+
+      iter #   9 total cpu time :   486.4 secs   av.it.:   6.9
+      thresh= 1.981E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.710E-13
+
+      iter #  10 total cpu time :   488.4 secs   av.it.:   7.3
+      thresh= 6.091E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.737E-15
+
+      iter #  11 total cpu time :   490.5 secs   av.it.:   8.4
+      thresh= 7.574E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.220E-15
+
+      iter #  12 total cpu time :   492.6 secs   av.it.:   8.1
+      thresh= 4.712E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.472E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  10 mode #  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   494.3 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.296E-04
+
+      iter #   2 total cpu time :   496.3 secs   av.it.:   7.8
+      thresh= 1.515E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.021E-03
+
+      iter #   3 total cpu time :   498.1 secs   av.it.:   6.6
+      thresh= 3.196E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.487E-07
+
+      iter #   4 total cpu time :   500.2 secs   av.it.:   8.2
+      thresh= 5.905E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.119E-08
+
+      iter #   5 total cpu time :   502.2 secs   av.it.:   8.0
+      thresh= 1.766E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.026E-10
+
+      iter #   6 total cpu time :   504.3 secs   av.it.:   8.3
+      thresh= 1.423E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.081E-11
+
+      iter #   7 total cpu time :   506.3 secs   av.it.:   8.0
+      thresh= 4.562E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.592E-12
+
+      iter #   8 total cpu time :   508.3 secs   av.it.:   7.5
+      thresh= 1.895E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.483E-12
+
+      iter #   9 total cpu time :   510.1 secs   av.it.:   6.8
+      thresh= 2.342E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.937E-13
+
+      iter #  10 total cpu time :   512.0 secs   av.it.:   7.3
+      thresh= 6.274E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.349E-15
+
+      iter #  11 total cpu time :   514.1 secs   av.it.:   8.4
+      thresh= 8.573E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.731E-15
+
+      iter #  12 total cpu time :   516.2 secs   av.it.:   8.1
+      thresh= 5.226E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.010E-16
+
+      iter #  13 total cpu time :   518.3 secs   av.it.:   8.2
+      thresh= 1.005E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.847E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  11 mode #  11
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   520.0 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.359E-05
+
+      iter #   2 total cpu time :   522.0 secs   av.it.:   7.9
+      thresh= 8.578E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.487E-04
+
+      iter #   3 total cpu time :   523.9 secs   av.it.:   6.7
+      thresh= 1.577E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.114E-06
+
+      iter #   4 total cpu time :   525.8 secs   av.it.:   7.5
+      thresh= 1.454E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.490E-09
+
+      iter #   5 total cpu time :   527.8 secs   av.it.:   7.5
+      thresh= 7.410E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.787E-10
+
+      iter #   6 total cpu time :   529.9 secs   av.it.:   8.1
+      thresh= 1.337E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.102E-11
+
+      iter #   7 total cpu time :   531.9 secs   av.it.:   7.9
+      thresh= 6.405E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.360E-13
+
+      iter #   8 total cpu time :   533.9 secs   av.it.:   7.5
+      thresh= 7.321E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.475E-14
+
+      iter #   9 total cpu time :   535.8 secs   av.it.:   7.3
+      thresh= 1.214E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.714E-15
+
+      iter #  10 total cpu time :   537.7 secs   av.it.:   7.3
+      thresh= 4.140E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.080E-15
+
+      iter #  11 total cpu time :   539.6 secs   av.it.:   6.9
+      thresh= 3.287E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.308E-16
+
+      iter #  12 total cpu time :   541.4 secs   av.it.:   6.9
+      thresh= 1.144E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.061E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  12 mode #  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   543.1 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.371E-05
+
+      iter #   2 total cpu time :   545.2 secs   av.it.:   7.9
+      thresh= 8.586E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.481E-04
+
+      iter #   3 total cpu time :   547.0 secs   av.it.:   6.7
+      thresh= 1.575E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.167E-06
+
+      iter #   4 total cpu time :   548.9 secs   av.it.:   7.4
+      thresh= 1.472E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.442E-09
+
+      iter #   5 total cpu time :   550.9 secs   av.it.:   7.5
+      thresh= 7.377E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.015E-10
+
+      iter #   6 total cpu time :   552.9 secs   av.it.:   8.0
+      thresh= 1.420E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.918E-11
+
+      iter #   7 total cpu time :   555.0 secs   av.it.:   7.8
+      thresh= 6.260E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.047E-13
+
+      iter #   8 total cpu time :   557.0 secs   av.it.:   7.4
+      thresh= 7.776E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.243E-13
+
+      iter #   9 total cpu time :   558.9 secs   av.it.:   7.1
+      thresh= 3.525E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.537E-14
+
+      iter #  10 total cpu time :   560.8 secs   av.it.:   7.2
+      thresh= 1.881E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.009E-15
+
+      iter #  11 total cpu time :   562.8 secs   av.it.:   7.6
+      thresh= 3.177E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.266E-16
+
+      iter #  12 total cpu time :   564.7 secs   av.it.:   6.9
+      thresh= 2.065E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.054E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.000000000   0.288675135  -0.193607630
+          2   0.000000000  -0.288675135   0.193607630
+          3  -0.250000000  -0.144337567   0.193607630
+          4   0.250000000  -0.144337567   0.193607630
+          5  -0.250000000   0.144337567   0.193607630
+          6   0.250000000   0.144337567   0.193607630
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000   0.288675135  -0.193607630 ) 
+
+ **************************************************************************
+     freq (    1) =       7.845241 [THz] =     261.689078 [cm-1]
+     freq (    2) =       7.845241 [THz] =     261.689078 [cm-1]
+     freq (    3) =      14.410373 [THz] =     480.678314 [cm-1]
+     freq (    4) =      14.410373 [THz] =     480.678314 [cm-1]
+     freq (    5) =      23.972842 [THz] =     799.647930 [cm-1]
+     freq (    6) =      23.972842 [THz] =     799.647930 [cm-1]
+     freq (    7) =      25.139727 [THz] =     838.571041 [cm-1]
+     freq (    8) =      25.139727 [THz] =     838.571041 [cm-1]
+     freq (    9) =      44.293993 [THz] =    1477.488560 [cm-1]
+     freq (   10) =      44.293993 [THz] =    1477.488560 [cm-1]
+     freq (   11) =      47.727899 [THz] =    1592.031345 [cm-1]
+     freq (   12) =      47.727899 [THz] =    1592.031345 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =        261.7  [cm-1]   --> A_1  D_1  S_1      
+     freq (   2-   2) =        261.7  [cm-1]   --> B_2  D_4  S_4      
+     freq (   3-   3) =        480.7  [cm-1]   --> A_2  D_2  S_2      
+     freq (   4-   4) =        480.7  [cm-1]   --> B_1  D_3  S_3      
+     freq (   5-   5) =        799.6  [cm-1]   --> A_1  D_1  S_1      
+     freq (   6-   6) =        799.6  [cm-1]   --> B_2  D_4  S_4      
+     freq (   7-   7) =        838.6  [cm-1]   --> A_1  D_1  S_1      
+     freq (   8-   8) =        838.6  [cm-1]   --> B_2  D_4  S_4      
+     freq (   9-   9) =       1477.5  [cm-1]   --> A_2  D_2  S_2      
+     freq (  10-  10) =       1477.5  [cm-1]   --> B_1  D_3  S_3      
+     freq (  11-  11) =       1592.0  [cm-1]   --> A_1  D_1  S_1      
+     freq (  12-  12) =       1592.0  [cm-1]   --> B_2  D_4  S_4      
+
+     Calculation of q =    0.0000000  -0.5773503   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     13                 1516      823     237
+     Max          45      32     15                 1521      825     239
+     Sum         265     187     85                 9111     4943    1431
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   208
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.97 MB
+
+     Estimated total dynamical RAM >      11.81 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.4
+
+     total cpu time spent up to now is       14.6 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000  -0.5773503   0.0000000 )
+
+      9 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    823 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   208
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     Mode symmetry, D_2h (mmm)  point group:
+
+
+     Atomic displacements:
+     There are   12 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+     Representation     7      1 modes -  To be done
+
+     Representation     8      1 modes -  To be done
+
+     Representation     9      1 modes -  To be done
+
+     Representation    10      1 modes -  To be done
+
+     Representation    11      1 modes -  To be done
+
+     Representation    12      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :   9m 3.38s CPU   9m28.50s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   569.3 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.342E-05
+
+      iter #   2 total cpu time :   570.5 secs   av.it.:   8.0
+      thresh= 7.964E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.596E-05
+
+      iter #   3 total cpu time :   571.6 secs   av.it.:   7.3
+      thresh= 9.271E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.683E-07
+
+      iter #   4 total cpu time :   572.6 secs   av.it.:   7.5
+      thresh= 6.843E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.688E-08
+
+      iter #   5 total cpu time :   573.6 secs   av.it.:   7.7
+      thresh= 1.639E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.734E-10
+
+      iter #   6 total cpu time :   574.7 secs   av.it.:   7.7
+      thresh= 2.176E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.547E-12
+
+      iter #   7 total cpu time :   575.7 secs   av.it.:   7.7
+      thresh= 1.596E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.315E-13
+
+      iter #   8 total cpu time :   576.8 secs   av.it.:   7.9
+      thresh= 3.626E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.545E-16
+
+      iter #   9 total cpu time :   577.8 secs   av.it.:   7.4
+      thresh= 2.355E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.341E-16
+
+      iter #  10 total cpu time :   578.9 secs   av.it.:   7.6
+      thresh= 1.158E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.146E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   579.9 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.800E-05
+
+      iter #   2 total cpu time :   581.0 secs   av.it.:   8.1
+      thresh= 6.164E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.540E-05
+
+      iter #   3 total cpu time :   582.0 secs   av.it.:   7.6
+      thresh= 5.950E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.575E-07
+
+      iter #   4 total cpu time :   583.1 secs   av.it.:   7.4
+      thresh= 5.980E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.031E-08
+
+      iter #   5 total cpu time :   584.1 secs   av.it.:   7.6
+      thresh= 1.741E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.797E-10
+
+      iter #   6 total cpu time :   585.1 secs   av.it.:   7.6
+      thresh= 2.408E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.919E-12
+
+      iter #   7 total cpu time :   586.1 secs   av.it.:   7.2
+      thresh= 2.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.901E-13
+
+      iter #   8 total cpu time :   587.2 secs   av.it.:   7.6
+      thresh= 5.386E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.398E-16
+
+      iter #   9 total cpu time :   588.2 secs   av.it.:   7.5
+      thresh= 2.323E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.328E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   589.0 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.222E-06
+
+      iter #   2 total cpu time :   590.1 secs   av.it.:   7.9
+      thresh= 1.491E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.907E-08
+
+      iter #   3 total cpu time :   591.2 secs   av.it.:   7.6
+      thresh= 1.381E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.063E-09
+
+      iter #   4 total cpu time :   592.1 secs   av.it.:   7.0
+      thresh= 3.261E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.377E-12
+
+      iter #   5 total cpu time :   593.2 secs   av.it.:   7.9
+      thresh= 1.174E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.624E-15
+
+      iter #   6 total cpu time :   594.2 secs   av.it.:   7.3
+      thresh= 9.286E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.899E-16
+
+      iter #   7 total cpu time :   595.2 secs   av.it.:   7.2
+      thresh= 1.378E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.178E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   596.1 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.192E-06
+
+      iter #   2 total cpu time :   597.1 secs   av.it.:   7.9
+      thresh= 1.481E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.672E-08
+
+      iter #   3 total cpu time :   598.2 secs   av.it.:   7.7
+      thresh= 1.293E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.982E-10
+
+      iter #   4 total cpu time :   599.2 secs   av.it.:   7.0
+      thresh= 2.825E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.362E-12
+
+      iter #   5 total cpu time :   600.2 secs   av.it.:   7.8
+      thresh= 1.167E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.919E-15
+
+      iter #   6 total cpu time :   601.2 secs   av.it.:   7.4
+      thresh= 8.899E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.785E-16
+
+      iter #   7 total cpu time :   602.2 secs   av.it.:   7.2
+      thresh= 1.336E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.041E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   603.0 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.049E-06
+
+      iter #   2 total cpu time :   604.1 secs   av.it.:   8.1
+      thresh= 1.746E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.041E-08
+
+      iter #   3 total cpu time :   605.2 secs   av.it.:   7.8
+      thresh= 2.836E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.569E-10
+
+      iter #   4 total cpu time :   606.2 secs   av.it.:   7.1
+      thresh= 3.093E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.011E-11
+
+      iter #   5 total cpu time :   607.1 secs   av.it.:   6.8
+      thresh= 7.753E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.884E-14
+
+      iter #   6 total cpu time :   608.1 secs   av.it.:   6.9
+      thresh= 2.808E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.713E-16
+
+      iter #   7 total cpu time :   609.2 secs   av.it.:   7.0
+      thresh= 1.309E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.099E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   610.0 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.466E-06
+
+      iter #   2 total cpu time :   611.1 secs   av.it.:   8.0
+      thresh= 2.338E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.562E-07
+
+      iter #   3 total cpu time :   612.2 secs   av.it.:   7.8
+      thresh= 3.952E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.730E-10
+
+      iter #   4 total cpu time :   613.1 secs   av.it.:   6.9
+      thresh= 3.119E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.598E-11
+
+      iter #   5 total cpu time :   614.1 secs   av.it.:   6.8
+      thresh= 5.998E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.549E-13
+
+      iter #   6 total cpu time :   615.0 secs   av.it.:   7.2
+      thresh= 3.936E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.367E-16
+
+      iter #   7 total cpu time :   616.1 secs   av.it.:   7.4
+      thresh= 2.893E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.476E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   7 mode #   7
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   616.9 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.973E-06
+
+      iter #   2 total cpu time :   618.0 secs   av.it.:   8.1
+      thresh= 1.405E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.120E-08
+
+      iter #   3 total cpu time :   619.0 secs   av.it.:   7.8
+      thresh= 1.456E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.018E-10
+
+      iter #   4 total cpu time :   620.0 secs   av.it.:   7.0
+      thresh= 2.832E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.753E-11
+
+      iter #   5 total cpu time :   620.9 secs   av.it.:   6.9
+      thresh= 6.894E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.041E-13
+
+      iter #   6 total cpu time :   622.0 secs   av.it.:   7.1
+      thresh= 3.226E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.678E-16
+
+      iter #   7 total cpu time :   623.1 secs   av.it.:   7.4
+      thresh= 2.163E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.933E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   8 mode #   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   623.9 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.334E-06
+
+      iter #   2 total cpu time :   625.0 secs   av.it.:   8.0
+      thresh= 2.082E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.843E-08
+
+      iter #   3 total cpu time :   626.1 secs   av.it.:   7.8
+      thresh= 2.616E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.012E-10
+
+      iter #   4 total cpu time :   627.0 secs   av.it.:   7.0
+      thresh= 2.831E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.488E-12
+
+      iter #   5 total cpu time :   628.0 secs   av.it.:   7.0
+      thresh= 3.080E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.696E-13
+
+      iter #   6 total cpu time :   629.0 secs   av.it.:   7.3
+      thresh= 4.119E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.748E-15
+
+      iter #   7 total cpu time :   630.0 secs   av.it.:   7.2
+      thresh= 4.181E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.084E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   9 mode #   9
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   630.9 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.585E-05
+
+      iter #   2 total cpu time :   632.0 secs   av.it.:   8.0
+      thresh= 8.115E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.000E-05
+
+      iter #   3 total cpu time :   633.1 secs   av.it.:   7.3
+      thresh= 8.944E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.543E-07
+
+      iter #   4 total cpu time :   634.1 secs   av.it.:   7.6
+      thresh= 5.042E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.827E-08
+
+      iter #   5 total cpu time :   635.2 secs   av.it.:   7.7
+      thresh= 1.352E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.474E-10
+
+      iter #   6 total cpu time :   636.3 secs   av.it.:   7.7
+      thresh= 2.340E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.572E-12
+
+      iter #   7 total cpu time :   637.3 secs   av.it.:   7.5
+      thresh= 1.890E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.422E-13
+
+      iter #   8 total cpu time :   638.4 secs   av.it.:   7.9
+      thresh= 3.771E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.999E-16
+
+      iter #   9 total cpu time :   639.5 secs   av.it.:   7.6
+      thresh= 2.828E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.309E-16
+
+      iter #  10 total cpu time :   640.5 secs   av.it.:   7.3
+      thresh= 1.144E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.050E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  10 mode #  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   641.4 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.325E-05
+
+      iter #   2 total cpu time :   642.5 secs   av.it.:   8.1
+      thresh= 6.577E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.880E-05
+
+      iter #   3 total cpu time :   643.6 secs   av.it.:   7.6
+      thresh= 6.229E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.244E-07
+
+      iter #   4 total cpu time :   644.8 secs   av.it.:   7.7
+      thresh= 3.526E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.867E-09
+
+      iter #   5 total cpu time :   645.9 secs   av.it.:   7.7
+      thresh= 7.660E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.371E-09
+
+      iter #   6 total cpu time :   646.9 secs   av.it.:   7.5
+      thresh= 3.702E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.932E-12
+
+      iter #   7 total cpu time :   648.0 secs   av.it.:   7.3
+      thresh= 3.152E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.145E-13
+
+      iter #   8 total cpu time :   649.1 secs   av.it.:   7.6
+      thresh= 5.608E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.530E-16
+
+      iter #   9 total cpu time :   650.1 secs   av.it.:   7.8
+      thresh= 2.744E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.236E-16
+
+      iter #  10 total cpu time :   651.4 secs   av.it.:   7.8
+      thresh= 1.495E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.273E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  11 mode #  11
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   652.3 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.363E-06
+
+      iter #   2 total cpu time :   653.5 secs   av.it.:   7.8
+      thresh= 1.537E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.150E-08
+
+      iter #   3 total cpu time :   654.6 secs   av.it.:   7.7
+      thresh= 1.466E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.089E-09
+
+      iter #   4 total cpu time :   655.6 secs   av.it.:   7.0
+      thresh= 3.300E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.484E-12
+
+      iter #   5 total cpu time :   656.6 secs   av.it.:   7.9
+      thresh= 1.218E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.113E-14
+
+      iter #   6 total cpu time :   657.6 secs   av.it.:   7.2
+      thresh= 1.055E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.481E-16
+
+      iter #   7 total cpu time :   658.7 secs   av.it.:   7.2
+      thresh= 1.575E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.074E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  12 mode #  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   659.5 secs   av.it.:   4.9
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.334E-06
+
+      iter #   2 total cpu time :   660.6 secs   av.it.:   7.8
+      thresh= 1.528E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.911E-08
+
+      iter #   3 total cpu time :   661.6 secs   av.it.:   7.7
+      thresh= 1.383E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.183E-10
+
+      iter #   4 total cpu time :   662.6 secs   av.it.:   7.0
+      thresh= 2.861E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.485E-12
+
+      iter #   5 total cpu time :   663.8 secs   av.it.:   7.8
+      thresh= 1.219E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.077E-14
+
+      iter #   6 total cpu time :   664.8 secs   av.it.:   7.3
+      thresh= 1.038E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.354E-16
+
+      iter #   7 total cpu time :   665.8 secs   av.it.:   7.2
+      thresh= 1.534E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.926E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    3
+     List of q in the star:
+          1   0.000000000  -0.577350269   0.000000000
+          2   0.500000000   0.288675135   0.000000000
+          3  -0.500000000   0.288675135   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000  -0.577350269   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =      15.212541 [THz] =     507.435735 [cm-1]
+     freq (    2) =      15.626448 [THz] =     521.242185 [cm-1]
+     freq (    3) =      19.127516 [THz] =     638.025266 [cm-1]
+     freq (    4) =      19.127868 [THz] =     638.037002 [cm-1]
+     freq (    5) =      19.612431 [THz] =     654.200265 [cm-1]
+     freq (    6) =      19.768355 [THz] =     659.401349 [cm-1]
+     freq (    7) =      39.888270 [THz] =    1330.529470 [cm-1]
+     freq (    8) =      39.890878 [THz] =    1330.616451 [cm-1]
+     freq (    9) =      40.696213 [THz] =    1357.479549 [cm-1]
+     freq (   10) =      40.826618 [THz] =    1361.829393 [cm-1]
+     freq (   11) =      42.024351 [THz] =    1401.781453 [cm-1]
+     freq (   12) =      42.076082 [THz] =    1403.507024 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, D_2h (mmm)  point group:
+
+     freq (   1-   1) =        507.4  [cm-1]   --> B_1u               
+     freq (   2-   2) =        521.2  [cm-1]   --> B_3g               
+     freq (   3-   3) =        638.0  [cm-1]   --> B_1g               
+     freq (   4-   4) =        638.0  [cm-1]   --> B_3u               
+     freq (   5-   5) =        654.2  [cm-1]   --> B_3g               
+     freq (   6-   6) =        659.4  [cm-1]   --> B_1u               
+     freq (   7-   7) =       1330.5  [cm-1]   --> B_2u               
+     freq (   8-   8) =       1330.6  [cm-1]   --> A_g                
+     freq (   9-   9) =       1357.5  [cm-1]   --> A_g                
+     freq (  10-  10) =       1361.8  [cm-1]   --> B_2u               
+     freq (  11-  11) =       1401.8  [cm-1]   --> B_1g               
+     freq (  12-  12) =       1403.5  [cm-1]   --> B_3u               
+
+     Calculation of q =    0.0000000  -0.5773503  -0.1936076
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     13                 1516      823     242
+     Max          45      32     15                 1521      825     247
+     Sum         265     187     85                 9111     4943    1467
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   208
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.97 MB
+
+     Estimated total dynamical RAM >      11.81 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.4
+
+     total cpu time spent up to now is       17.4 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.0000000  -0.5773503  -0.1936076 )
+
+      9 Sym.Ops. (with q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    823 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   208
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      2 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+     Representation     5      2 modes -  To be done
+
+     Representation     6      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :  10m40.16s CPU  11m 9.58s WALL
+
+
+
+     Representation #   1 modes #   1   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   671.2 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.730E-07
+
+      iter #   2 total cpu time :   673.6 secs   av.it.:   8.8
+      thresh= 7.570E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.051E-09
+
+      iter #   3 total cpu time :   675.9 secs   av.it.:   8.5
+      thresh= 7.107E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.688E-10
+
+      iter #   4 total cpu time :   678.0 secs   av.it.:   7.7
+      thresh= 1.639E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.582E-13
+
+      iter #   5 total cpu time :   680.3 secs   av.it.:   8.6
+      thresh= 5.985E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.461E-15
+
+      iter #   6 total cpu time :   682.5 secs   av.it.:   8.1
+      thresh= 4.961E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.481E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   684.3 secs   av.it.:   5.7
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.210E-06
+
+      iter #   2 total cpu time :   686.9 secs   av.it.:   9.2
+      thresh= 2.685E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.811E-06
+
+      iter #   3 total cpu time :   689.1 secs   av.it.:   8.3
+      thresh= 2.610E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.868E-08
+
+      iter #   4 total cpu time :   691.4 secs   av.it.:   8.5
+      thresh= 2.621E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.090E-09
+
+      iter #   5 total cpu time :   693.6 secs   av.it.:   8.4
+      thresh= 7.804E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.289E-10
+
+      iter #   6 total cpu time :   696.0 secs   av.it.:   8.6
+      thresh= 1.135E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.657E-12
+
+      iter #   7 total cpu time :   698.3 secs   av.it.:   8.5
+      thresh= 1.287E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.857E-14
+
+      iter #   8 total cpu time :   700.5 secs   av.it.:   8.6
+      thresh= 2.204E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.236E-16
+
+      iter #   9 total cpu time :   702.9 secs   av.it.:   8.5
+      thresh= 2.497E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.940E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   704.8 secs   av.it.:   5.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.827E-06
+
+      iter #   2 total cpu time :   707.2 secs   av.it.:   9.4
+      thresh= 1.681E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.452E-06
+
+      iter #   3 total cpu time :   709.5 secs   av.it.:   8.4
+      thresh= 1.566E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.224E-08
+
+      iter #   4 total cpu time :   711.7 secs   av.it.:   8.5
+      thresh= 2.286E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.224E-09
+
+      iter #   5 total cpu time :   714.0 secs   av.it.:   8.3
+      thresh= 5.678E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.243E-11
+
+      iter #   6 total cpu time :   716.3 secs   av.it.:   8.6
+      thresh= 9.079E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.431E-13
+
+      iter #   7 total cpu time :   718.7 secs   av.it.:   8.9
+      thresh= 8.620E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.852E-14
+
+      iter #   8 total cpu time :   721.1 secs   av.it.:   8.9
+      thresh= 1.361E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.211E-15
+
+      iter #   9 total cpu time :   723.6 secs   av.it.:   8.9
+      thresh= 3.480E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.232E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   7   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   725.4 secs   av.it.:   5.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.788E-06
+
+      iter #   2 total cpu time :   727.9 secs   av.it.:   9.2
+      thresh= 2.605E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.515E-06
+
+      iter #   3 total cpu time :   730.1 secs   av.it.:   8.2
+      thresh= 2.741E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.300E-08
+
+      iter #   4 total cpu time :   732.5 secs   av.it.:   8.5
+      thresh= 2.074E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.126E-09
+
+      iter #   5 total cpu time :   734.8 secs   av.it.:   8.4
+      thresh= 8.442E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.130E-10
+
+      iter #   6 total cpu time :   737.2 secs   av.it.:   8.6
+      thresh= 1.063E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.745E-12
+
+      iter #   7 total cpu time :   739.5 secs   av.it.:   8.4
+      thresh= 1.321E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.261E-14
+
+      iter #   8 total cpu time :   741.8 secs   av.it.:   8.7
+      thresh= 1.504E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.873E-16
+
+      iter #   9 total cpu time :   744.1 secs   av.it.:   8.7
+      thresh= 1.968E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.266E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 modes #   9  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   745.7 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.656E-07
+
+      iter #   2 total cpu time :   748.1 secs   av.it.:   8.8
+      thresh= 7.521E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.460E-09
+
+      iter #   3 total cpu time :   750.3 secs   av.it.:   8.6
+      thresh= 6.679E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.021E-10
+
+      iter #   4 total cpu time :   752.5 secs   av.it.:   7.8
+      thresh= 1.422E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.562E-13
+
+      iter #   5 total cpu time :   754.7 secs   av.it.:   8.6
+      thresh= 5.969E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.326E-15
+
+      iter #   6 total cpu time :   756.9 secs   av.it.:   8.1
+      thresh= 4.823E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.199E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 modes #  11  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   758.7 secs   av.it.:   5.6
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.094E-05
+
+      iter #   2 total cpu time :   761.0 secs   av.it.:   9.1
+      thresh= 3.308E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.135E-05
+
+      iter #   3 total cpu time :   763.2 secs   av.it.:   8.3
+      thresh= 3.369E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.778E-08
+
+      iter #   4 total cpu time :   765.5 secs   av.it.:   8.4
+      thresh= 2.604E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.260E-09
+
+      iter #   5 total cpu time :   767.8 secs   av.it.:   8.4
+      thresh= 7.912E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.501E-10
+
+      iter #   6 total cpu time :   770.1 secs   av.it.:   8.5
+      thresh= 1.225E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.103E-12
+
+      iter #   7 total cpu time :   772.4 secs   av.it.:   8.5
+      thresh= 1.050E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.803E-14
+
+      iter #   8 total cpu time :   774.6 secs   av.it.:   8.5
+      thresh= 2.608E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.201E-16
+
+      iter #   9 total cpu time :   777.0 secs   av.it.:   8.8
+      thresh= 1.789E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.720E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    3
+     List of q in the star:
+          1   0.000000000  -0.577350269  -0.193607630
+          2   0.500000000   0.288675135   0.193607630
+          3  -0.500000000   0.288675135   0.193607630
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.000000000  -0.577350269  -0.193607630 ) 
+
+ **************************************************************************
+     freq (    1) =      15.438424 [THz] =     514.970396 [cm-1]
+     freq (    2) =      15.438424 [THz] =     514.970396 [cm-1]
+     freq (    3) =      19.127644 [THz] =     638.029520 [cm-1]
+     freq (    4) =      19.127644 [THz] =     638.029520 [cm-1]
+     freq (    5) =      19.686095 [THz] =     656.657436 [cm-1]
+     freq (    6) =      19.686095 [THz] =     656.657436 [cm-1]
+     freq (    7) =      39.893529 [THz] =    1330.704901 [cm-1]
+     freq (    8) =      39.893529 [THz] =    1330.704901 [cm-1]
+     freq (    9) =      40.756730 [THz] =    1359.498164 [cm-1]
+     freq (   10) =      40.756730 [THz] =    1359.498164 [cm-1]
+     freq (   11) =      42.052501 [THz] =    1402.720453 [cm-1]
+     freq (   12) =      42.052501 [THz] =    1402.720453 [cm-1]
+ **************************************************************************
+
+     Calculation of q =    0.2500000   0.4330127   0.0000000
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     14                 1516      823     256
+     Max          45      32     15                 1521      825     263
+     Sum         265     187     85                 9111     4943    1553
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   400
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.97 MB
+
+     Estimated total dynamical RAM >      11.79 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.5
+
+     total cpu time spent up to now is       22.9 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.2500000   0.4330127   0.0000000 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   400
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+
+     Atomic displacements:
+     There are   12 irreducible representations
+
+     Representation     1      1 modes -  To be done
+
+     Representation     2      1 modes -  To be done
+
+     Representation     3      1 modes -  To be done
+
+     Representation     4      1 modes -  To be done
+
+     Representation     5      1 modes -  To be done
+
+     Representation     6      1 modes -  To be done
+
+     Representation     7      1 modes -  To be done
+
+     Representation     8      1 modes -  To be done
+
+     Representation     9      1 modes -  To be done
+
+     Representation    10      1 modes -  To be done
+
+     Representation    11      1 modes -  To be done
+
+     Representation    12      1 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :  12m29.66s CPU  13m 4.27s WALL
+
+
+
+     Representation #   1 mode #   1
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   785.8 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.346E-05
+
+      iter #   2 total cpu time :   787.9 secs   av.it.:   8.0
+      thresh= 8.571E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.361E-04
+
+      iter #   3 total cpu time :   789.8 secs   av.it.:   7.0
+      thresh= 1.166E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.467E-07
+
+      iter #   4 total cpu time :   791.8 secs   av.it.:   7.8
+      thresh= 6.684E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.417E-08
+
+      iter #   5 total cpu time :   793.8 secs   av.it.:   7.6
+      thresh= 1.848E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.407E-10
+
+      iter #   6 total cpu time :   795.8 secs   av.it.:   7.5
+      thresh= 2.099E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.696E-11
+
+      iter #   7 total cpu time :   797.9 secs   av.it.:   7.4
+      thresh= 4.118E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.456E-13
+
+      iter #   8 total cpu time :   800.0 secs   av.it.:   8.0
+      thresh= 3.816E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.072E-15
+
+      iter #   9 total cpu time :   802.3 secs   av.it.:   7.9
+      thresh= 7.122E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.786E-15
+
+      iter #  10 total cpu time :   804.3 secs   av.it.:   7.3
+      thresh= 5.278E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.051E-16
+
+      iter #  11 total cpu time :   806.3 secs   av.it.:   7.5
+      thresh= 1.432E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.262E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 mode #   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   808.0 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.353E-05
+
+      iter #   2 total cpu time :   810.0 secs   av.it.:   8.1
+      thresh= 5.790E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.280E-05
+
+      iter #   3 total cpu time :   812.0 secs   av.it.:   7.1
+      thresh= 7.266E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.263E-07
+
+      iter #   4 total cpu time :   814.0 secs   av.it.:   7.7
+      thresh= 7.255E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.411E-08
+
+      iter #   5 total cpu time :   816.0 secs   av.it.:   7.7
+      thresh= 1.553E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.012E-10
+
+      iter #   6 total cpu time :   818.1 secs   av.it.:   7.7
+      thresh= 2.003E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.125E-11
+
+      iter #   7 total cpu time :   820.2 secs   av.it.:   7.4
+      thresh= 3.354E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.014E-13
+
+      iter #   8 total cpu time :   822.3 secs   av.it.:   8.1
+      thresh= 3.184E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.067E-15
+
+      iter #   9 total cpu time :   824.3 secs   av.it.:   7.8
+      thresh= 7.118E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.529E-15
+
+      iter #  10 total cpu time :   826.2 secs   av.it.:   7.1
+      thresh= 7.435E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.614E-16
+
+      iter #  11 total cpu time :   828.2 secs   av.it.:   7.6
+      thresh= 1.617E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.124E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 mode #   3
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   829.9 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.160E-05
+
+      iter #   2 total cpu time :   832.0 secs   av.it.:   8.2
+      thresh= 3.407E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.274E-05
+
+      iter #   3 total cpu time :   833.9 secs   av.it.:   7.4
+      thresh= 3.569E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.890E-07
+
+      iter #   4 total cpu time :   835.9 secs   av.it.:   7.3
+      thresh= 7.675E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.728E-08
+
+      iter #   5 total cpu time :   838.0 secs   av.it.:   7.8
+      thresh= 1.652E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.505E-09
+
+      iter #   6 total cpu time :   840.0 secs   av.it.:   7.5
+      thresh= 3.880E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.199E-11
+
+      iter #   7 total cpu time :   842.0 secs   av.it.:   7.3
+      thresh= 5.656E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.847E-13
+
+      iter #   8 total cpu time :   844.0 secs   av.it.:   7.5
+      thresh= 6.203E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.497E-15
+
+      iter #   9 total cpu time :   846.1 secs   av.it.:   7.8
+      thresh= 5.913E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.556E-15
+
+      iter #  10 total cpu time :   848.0 secs   av.it.:   7.3
+      thresh= 3.944E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.214E-16
+
+      iter #  11 total cpu time :   850.1 secs   av.it.:   7.9
+      thresh= 1.488E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.704E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 mode #   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   851.8 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.883E-05
+
+      iter #   2 total cpu time :   853.9 secs   av.it.:   8.0
+      thresh= 6.988E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.808E-05
+
+      iter #   3 total cpu time :   855.8 secs   av.it.:   7.1
+      thresh= 9.385E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.419E-07
+
+      iter #   4 total cpu time :   857.9 secs   av.it.:   7.8
+      thresh= 6.648E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.210E-08
+
+      iter #   5 total cpu time :   859.9 secs   av.it.:   7.8
+      thresh= 1.792E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.406E-10
+
+      iter #   6 total cpu time :   861.9 secs   av.it.:   7.7
+      thresh= 1.846E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.409E-11
+
+      iter #   7 total cpu time :   863.9 secs   av.it.:   7.4
+      thresh= 3.754E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.709E-13
+
+      iter #   8 total cpu time :   866.1 secs   av.it.:   7.9
+      thresh= 4.134E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.315E-15
+
+      iter #   9 total cpu time :   868.3 secs   av.it.:   8.0
+      thresh= 7.290E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.271E-15
+
+      iter #  10 total cpu time :   870.1 secs   av.it.:   7.0
+      thresh= 9.095E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.536E-16
+
+      iter #  11 total cpu time :   872.2 secs   av.it.:   7.9
+      thresh= 1.239E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.112E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 mode #   5
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   873.9 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.464E-06
+
+      iter #   2 total cpu time :   875.9 secs   av.it.:   7.9
+      thresh= 2.543E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.012E-07
+
+      iter #   3 total cpu time :   877.9 secs   av.it.:   7.6
+      thresh= 5.488E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.108E-09
+
+      iter #   4 total cpu time :   879.9 secs   av.it.:   6.9
+      thresh= 3.329E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.748E-11
+
+      iter #   5 total cpu time :   881.8 secs   av.it.:   6.6
+      thresh= 8.214E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.636E-13
+
+      iter #   6 total cpu time :   883.7 secs   av.it.:   7.1
+      thresh= 4.045E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.046E-15
+
+      iter #   7 total cpu time :   885.7 secs   av.it.:   7.2
+      thresh= 3.234E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.082E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 mode #   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   887.4 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.020E-06
+
+      iter #   2 total cpu time :   889.6 secs   av.it.:   7.8
+      thresh= 2.454E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.734E-07
+
+      iter #   3 total cpu time :   891.5 secs   av.it.:   7.6
+      thresh= 5.229E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.090E-09
+
+      iter #   4 total cpu time :   893.5 secs   av.it.:   7.0
+      thresh= 3.302E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.940E-11
+
+      iter #   5 total cpu time :   895.3 secs   av.it.:   6.7
+      thresh= 8.331E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.161E-13
+
+      iter #   6 total cpu time :   897.2 secs   av.it.:   7.3
+      thresh= 4.649E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.512E-15
+
+      iter #   7 total cpu time :   899.1 secs   av.it.:   7.0
+      thresh= 5.926E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.764E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   7 mode #   7
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   900.7 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.681E-05
+
+      iter #   2 total cpu time :   902.8 secs   av.it.:   8.2
+      thresh= 5.177E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.878E-05
+
+      iter #   3 total cpu time :   904.9 secs   av.it.:   7.5
+      thresh= 5.365E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.263E-07
+
+      iter #   4 total cpu time :   906.9 secs   av.it.:   7.7
+      thresh= 4.758E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.256E-08
+
+      iter #   5 total cpu time :   908.9 secs   av.it.:   7.8
+      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.549E-10
+
+      iter #   6 total cpu time :   911.0 secs   av.it.:   7.6
+      thresh= 2.356E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.099E-11
+
+      iter #   7 total cpu time :   913.0 secs   av.it.:   7.4
+      thresh= 3.316E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.904E-13
+
+      iter #   8 total cpu time :   915.0 secs   av.it.:   7.8
+      thresh= 4.363E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.697E-15
+
+      iter #   9 total cpu time :   917.2 secs   av.it.:   7.7
+      thresh= 5.193E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.364E-16
+
+      iter #  10 total cpu time :   919.4 secs   av.it.:   7.9
+      thresh= 1.168E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.824E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   8 mode #   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   921.1 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.115E-05
+
+      iter #   2 total cpu time :   923.3 secs   av.it.:   8.2
+      thresh= 4.599E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.317E-05
+
+      iter #   3 total cpu time :   925.3 secs   av.it.:   7.5
+      thresh= 4.813E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.490E-07
+
+      iter #   4 total cpu time :   927.4 secs   av.it.:   7.8
+      thresh= 3.860E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.755E-08
+
+      iter #   5 total cpu time :   929.5 secs   av.it.:   7.8
+      thresh= 1.325E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.697E-10
+
+      iter #   6 total cpu time :   931.5 secs   av.it.:   7.8
+      thresh= 2.387E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.780E-11
+
+      iter #   7 total cpu time :   933.5 secs   av.it.:   7.5
+      thresh= 4.219E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.358E-13
+
+      iter #   8 total cpu time :   935.6 secs   av.it.:   7.7
+      thresh= 5.795E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.577E-15
+
+      iter #   9 total cpu time :   937.7 secs   av.it.:   7.5
+      thresh= 5.076E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.295E-16
+
+      iter #  10 total cpu time :   939.8 secs   av.it.:   7.7
+      thresh= 1.138E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.250E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   9 mode #   9
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   941.7 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.736E-05
+
+      iter #   2 total cpu time :   943.8 secs   av.it.:   8.3
+      thresh= 4.167E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.559E-05
+
+      iter #   3 total cpu time :   945.8 secs   av.it.:   7.6
+      thresh= 3.948E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.901E-07
+
+      iter #   4 total cpu time :   947.8 secs   av.it.:   7.6
+      thresh= 5.386E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.179E-09
+
+      iter #   5 total cpu time :   949.9 secs   av.it.:   7.9
+      thresh= 9.581E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.593E-10
+
+      iter #   6 total cpu time :   951.9 secs   av.it.:   7.7
+      thresh= 2.756E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.399E-12
+
+      iter #   7 total cpu time :   953.9 secs   av.it.:   7.4
+      thresh= 3.066E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.350E-13
+
+      iter #   8 total cpu time :   956.0 secs   av.it.:   7.9
+      thresh= 3.675E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.986E-15
+
+      iter #   9 total cpu time :   958.0 secs   av.it.:   7.7
+      thresh= 5.464E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.338E-16
+
+      iter #  10 total cpu time :   960.0 secs   av.it.:   7.9
+      thresh= 1.529E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.399E-16
+
+      iter #  11 total cpu time :   962.0 secs   av.it.:   7.5
+      thresh= 1.183E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.696E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  10 mode #  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   963.7 secs   av.it.:   5.1
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.205E-05
+
+      iter #   2 total cpu time :   965.8 secs   av.it.:   8.2
+      thresh= 4.696E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.836E-05
+
+      iter #   3 total cpu time :   967.9 secs   av.it.:   7.5
+      thresh= 4.285E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.045E-07
+
+      iter #   4 total cpu time :   970.1 secs   av.it.:   7.5
+      thresh= 6.360E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.420E-09
+
+      iter #   5 total cpu time :   972.1 secs   av.it.:   7.9
+      thresh= 8.614E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.656E-10
+
+      iter #   6 total cpu time :   974.2 secs   av.it.:   7.6
+      thresh= 2.767E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.595E-12
+
+      iter #   7 total cpu time :   976.2 secs   av.it.:   7.8
+      thresh= 2.144E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.981E-14
+
+      iter #   8 total cpu time :   978.4 secs   av.it.:   8.1
+      thresh= 2.642E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.218E-15
+
+      iter #   9 total cpu time :   980.4 secs   av.it.:   7.8
+      thresh= 4.709E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.980E-16
+
+      iter #  10 total cpu time :   982.5 secs   av.it.:   7.7
+      thresh= 2.445E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.991E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  11 mode #  11
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :   984.5 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.447E-06
+
+      iter #   2 total cpu time :   987.8 secs   av.it.:   8.0
+      thresh= 1.564E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.232E-08
+
+      iter #   3 total cpu time :   991.2 secs   av.it.:   7.8
+      thresh= 1.494E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.635E-10
+
+      iter #   4 total cpu time :   994.3 secs   av.it.:   6.8
+      thresh= 2.576E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.461E-11
+
+      iter #   5 total cpu time :   997.3 secs   av.it.:   6.7
+      thresh= 3.823E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.385E-14
+
+      iter #   6 total cpu time :  1000.5 secs   av.it.:   7.2
+      thresh= 2.321E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.366E-16
+
+      iter #   7 total cpu time :  1003.9 secs   av.it.:   7.4
+      thresh= 1.538E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.924E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #  12 mode #  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1006.6 secs   av.it.:   5.0
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.037E-06
+
+      iter #   2 total cpu time :  1010.2 secs   av.it.:   8.1
+      thresh= 1.427E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.865E-08
+
+      iter #   3 total cpu time :  1013.7 secs   av.it.:   7.8
+      thresh= 1.366E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.244E-10
+
+      iter #   4 total cpu time :  1016.8 secs   av.it.:   6.8
+      thresh= 2.691E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.164E-11
+
+      iter #   5 total cpu time :  1019.9 secs   av.it.:   6.8
+      thresh= 4.652E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.949E-14
+
+      iter #   6 total cpu time :  1023.1 secs   av.it.:   7.0
+      thresh= 2.819E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.480E-16
+
+      iter #   7 total cpu time :  1026.5 secs   av.it.:   7.4
+      thresh= 1.216E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.678E-18
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.250000000   0.433012702   0.000000000
+          2  -0.250000000  -0.433012702   0.000000000
+          3   0.250000000  -0.433012702   0.000000000
+          4   0.500000000   0.000000000   0.000000000
+          5  -0.500000000   0.000000000   0.000000000
+          6  -0.250000000   0.433012702   0.000000000
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.250000000   0.433012702   0.000000000 ) 
+
+ **************************************************************************
+     freq (    1) =      12.711599 [THz] =     424.013294 [cm-1]
+     freq (    2) =      13.322923 [THz] =     444.404874 [cm-1]
+     freq (    3) =      21.013883 [THz] =     700.947681 [cm-1]
+     freq (    4) =      21.042733 [THz] =     701.910032 [cm-1]
+     freq (    5) =      25.673446 [THz] =     856.373964 [cm-1]
+     freq (    6) =      25.686951 [THz] =     856.824452 [cm-1]
+     freq (    7) =      32.620015 [THz] =    1088.086565 [cm-1]
+     freq (    8) =      32.708961 [THz] =    1091.053486 [cm-1]
+     freq (    9) =      41.073935 [THz] =    1370.078996 [cm-1]
+     freq (   10) =      41.233418 [THz] =    1375.398781 [cm-1]
+     freq (   11) =      42.494210 [THz] =    1417.454283 [cm-1]
+     freq (   12) =      42.551232 [THz] =    1419.356321 [cm-1]
+ **************************************************************************
+
+     Mode symmetry, C_2v (mm2)  point group:
+
+     freq (   1-   1) =        424.0  [cm-1]   --> B_2  D_4  S_4      
+     freq (   2-   2) =        444.4  [cm-1]   --> A_2  D_2  S_2      
+     freq (   3-   3) =        700.9  [cm-1]   --> A_2  D_2  S_2      
+     freq (   4-   4) =        701.9  [cm-1]   --> B_2  D_4  S_4      
+     freq (   5-   5) =        856.4  [cm-1]   --> A_1  D_1  S_1      
+     freq (   6-   6) =        856.8  [cm-1]   --> B_1  D_3  S_3      
+     freq (   7-   7) =       1088.1  [cm-1]   --> B_1  D_3  S_3      
+     freq (   8-   8) =       1091.1  [cm-1]   --> A_1  D_1  S_1      
+     freq (   9-   9) =       1370.1  [cm-1]   --> A_1  D_1  S_1      
+     freq (  10-  10) =       1375.4  [cm-1]   --> B_1  D_3  S_3      
+     freq (  11-  11) =       1417.5  [cm-1]   --> A_1  D_1  S_1      
+     freq (  12-  12) =       1419.4  [cm-1]   --> B_1  D_3  S_3      
+
+     Calculation of q =    0.2500000   0.4330127  -0.1936076
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     14                 1516      823     256
+     Max          45      32     15                 1521      825     263
+     Sum         265     187     85                 9111     4943    1553
+
+     Using Slab Decomposition
+
+
+     Title: 
+     Graphite                                                                   
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=   400
+
+     Number of k-points >= 100: set verbosity='high' to print them.
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       1.97 MB
+
+     Estimated total dynamical RAM >      11.80 MB
+
+     The potential is recalculated from file :
+     /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/charge-density
+
+     Starting wfcs are   16 atomic wfcs
+
+     Band Structure Calculation
+     Davidson diagonalization with overlap
+
+     ethr =  6.25E-11,  avg # of iterations = 10.5
+
+     total cpu time spent up to now is       32.1 secs
+
+     End of band structure calculation
+
+     Number of k-points >= 100: set verbosity='high' to print the bands.
+
+     highest occupied level (ev):     7.5159
+
+     Writing config to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/_ph0/graphite.save/
+
+     Graphite                                                                   
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     kinetic-energy cut-off    =      30.0000  Ry
+     charge density cut-off    =     180.0000  Ry
+     convergence threshold     =      1.0E-16
+     beta                      =       0.7000
+     number of iterations used =            4
+     Exchange-correlation= PBE
+                           (   1   4   3   4   0   0   0)
+
+
+     celldm(1)=    4.64630  celldm(2)=    0.00000  celldm(3)=    2.58254
+     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (  1.0000  0.0000  0.0000 )  
+               a(2) = ( -0.5000  0.8660  0.0000 )  
+               a(3) = (  0.0000  0.0000  2.5825 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.0000  0.5774 -0.0000 )  
+               b(2) = (  0.0000  1.1547  0.0000 )  
+               b(3) = (  0.0000 -0.0000  0.3872 )  
+
+
+     Atoms inside the unit cell: 
+
+     Cartesian axes
+
+     site n.  atom      mass           positions (alat units)
+        1     C   12.0000   tau(    1) = (    0.00000    0.00000    0.00000  )
+        2     C   12.0000   tau(    2) = (   -0.00000    0.57735    0.00000  )
+        3     C   12.0000   tau(    3) = (    0.00000    0.00000    1.29127  )
+        4     C   12.0000   tau(    4) = (    0.50000    0.28868    1.29127  )
+
+     Computing dynamical matrix for 
+                    q = (   0.2500000   0.4330127  -0.1936076 )
+
+      4 Sym.Ops. (no q -> -q+G )
+
+
+     G cutoff =   98.4301  (   1521 G-vectors)     FFT grid: ( 20, 20, 54)
+     G cutoff =   65.6201  (    825 G-vectors)  smooth grid: ( 18, 18, 48)
+     number of k points=   400
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+
+     Atomic displacements:
+     There are    6 irreducible representations
+
+     Representation     1      2 modes -  To be done
+
+     Representation     2      2 modes -  To be done
+
+     Representation     3      2 modes -  To be done
+
+     Representation     4      2 modes -  To be done
+
+     Representation     5      2 modes -  To be done
+
+     Representation     6      2 modes -  To be done
+
+
+
+     Alpha used in Ewald sum =   1.8000
+     PHONON       :  16m33.34s CPU  17m18.44s WALL
+
+
+
+     Representation #   1 modes #   1   2
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1043.9 secs   av.it.:   5.4
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.147E-05
+
+      iter #   2 total cpu time :  1051.5 secs   av.it.:   9.1
+      thresh= 3.387E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.724E-05
+
+      iter #   3 total cpu time :  1058.5 secs   av.it.:   8.3
+      thresh= 4.152E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.064E-08
+
+      iter #   4 total cpu time :  1065.6 secs   av.it.:   8.5
+      thresh= 2.658E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.826E-09
+
+      iter #   5 total cpu time :  1073.1 secs   av.it.:   8.5
+      thresh= 7.633E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.547E-11
+
+      iter #   6 total cpu time :  1080.7 secs   av.it.:   8.7
+      thresh= 8.688E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.666E-12
+
+      iter #   7 total cpu time :  1088.1 secs   av.it.:   8.6
+      thresh= 1.915E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.750E-14
+
+      iter #   8 total cpu time :  1094.3 secs   av.it.:   8.9
+      thresh= 2.598E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.758E-16
+
+      iter #   9 total cpu time :  1099.2 secs   av.it.:   9.1
+      thresh= 2.600E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.779E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   2 modes #   3   4
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1102.8 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.190E-06
+
+      iter #   2 total cpu time :  1107.3 secs   av.it.:   9.1
+      thresh= 2.862E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.089E-05
+
+      iter #   3 total cpu time :  1111.7 secs   av.it.:   8.3
+      thresh= 3.300E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.280E-08
+
+      iter #   4 total cpu time :  1116.0 secs   av.it.:   8.5
+      thresh= 3.046E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.862E-09
+
+      iter #   5 total cpu time :  1120.4 secs   av.it.:   8.5
+      thresh= 6.973E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.042E-10
+
+      iter #   6 total cpu time :  1124.8 secs   av.it.:   8.6
+      thresh= 1.021E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.466E-12
+
+      iter #   7 total cpu time :  1129.3 secs   av.it.:   8.6
+      thresh= 1.570E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.272E-14
+
+      iter #   8 total cpu time :  1134.1 secs   av.it.:   9.2
+      thresh= 1.809E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.112E-16
+
+      iter #   9 total cpu time :  1138.7 secs   av.it.:   9.0
+      thresh= 2.848E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.253E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   3 modes #   5   6
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1142.2 secs   av.it.:   5.5
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.287E-06
+
+      iter #   2 total cpu time :  1147.0 secs   av.it.:   9.4
+      thresh= 1.134E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.855E-07
+
+      iter #   3 total cpu time :  1151.8 secs   av.it.:   9.1
+      thresh= 4.306E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.735E-08
+
+      iter #   4 total cpu time :  1156.1 secs   av.it.:   8.4
+      thresh= 2.176E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.188E-09
+
+      iter #   5 total cpu time :  1160.4 secs   av.it.:   8.6
+      thresh= 3.447E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.209E-10
+
+      iter #   6 total cpu time :  1164.8 secs   av.it.:   8.5
+      thresh= 1.486E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.920E-12
+
+      iter #   7 total cpu time :  1169.5 secs   av.it.:   8.9
+      thresh= 1.980E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.129E-13
+
+      iter #   8 total cpu time :  1174.4 secs   av.it.:   9.0
+      thresh= 3.360E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.493E-15
+
+      iter #   9 total cpu time :  1178.7 secs   av.it.:   8.5
+      thresh= 4.993E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.231E-16
+
+      iter #  10 total cpu time :  1184.1 secs   av.it.:   8.7
+      thresh= 1.494E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.647E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   4 modes #   7   8
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1187.8 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.049E-06
+
+      iter #   2 total cpu time :  1192.7 secs   av.it.:   9.5
+      thresh= 1.024E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.845E-07
+
+      iter #   3 total cpu time :  1197.3 secs   av.it.:   9.2
+      thresh= 4.295E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.977E-08
+
+      iter #   4 total cpu time :  1201.6 secs   av.it.:   8.5
+      thresh= 2.641E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.176E-09
+
+      iter #   5 total cpu time :  1206.1 secs   av.it.:   8.7
+      thresh= 3.429E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.666E-10
+
+      iter #   6 total cpu time :  1210.4 secs   av.it.:   8.5
+      thresh= 1.291E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.548E-12
+
+      iter #   7 total cpu time :  1214.7 secs   av.it.:   8.5
+      thresh= 1.244E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.598E-14
+
+      iter #   8 total cpu time :  1219.2 secs   av.it.:   8.7
+      thresh= 1.612E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.841E-15
+
+      iter #   9 total cpu time :  1223.6 secs   av.it.:   8.5
+      thresh= 4.290E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.523E-16
+
+      iter #  10 total cpu time :  1228.1 secs   av.it.:   8.8
+      thresh= 1.234E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.539E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   5 modes #   9  10
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1231.5 secs   av.it.:   5.3
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.861E-06
+
+      iter #   2 total cpu time :  1236.2 secs   av.it.:   9.1
+      thresh= 1.965E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.530E-06
+
+      iter #   3 total cpu time :  1240.4 secs   av.it.:   8.3
+      thresh= 1.879E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.294E-07
+
+      iter #   4 total cpu time :  1244.6 secs   av.it.:   8.3
+      thresh= 3.598E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.243E-09
+
+      iter #   5 total cpu time :  1250.6 secs   av.it.:   8.8
+      thresh= 3.525E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.099E-10
+
+      iter #   6 total cpu time :  1257.8 secs   av.it.:   8.5
+      thresh= 1.760E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.273E-12
+
+      iter #   7 total cpu time :  1265.5 secs   av.it.:   8.8
+      thresh= 2.067E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.510E-14
+
+      iter #   8 total cpu time :  1273.4 secs   av.it.:   9.2
+      thresh= 2.124E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.215E-15
+
+      iter #   9 total cpu time :  1281.2 secs   av.it.:   9.1
+      thresh= 3.486E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.343E-16
+
+      iter #  10 total cpu time :  1288.7 secs   av.it.:   8.9
+      thresh= 1.159E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.050E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+
+     Representation #   6 modes #  11  12
+
+     Self-consistent Calculation
+
+      iter #   1 total cpu time :  1294.3 secs   av.it.:   5.2
+      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.263E-06
+
+      iter #   2 total cpu time :  1302.0 secs   av.it.:   9.1
+      thresh= 2.695E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.756E-06
+
+      iter #   3 total cpu time :  1309.2 secs   av.it.:   8.3
+      thresh= 3.123E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.335E-08
+
+      iter #   4 total cpu time :  1316.5 secs   av.it.:   8.6
+      thresh= 2.887E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.464E-09
+
+      iter #   5 total cpu time :  1323.8 secs   av.it.:   8.5
+      thresh= 7.392E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.149E-10
+
+      iter #   6 total cpu time :  1331.2 secs   av.it.:   8.7
+      thresh= 1.072E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.963E-12
+
+      iter #   7 total cpu time :  1338.5 secs   av.it.:   8.5
+      thresh= 1.721E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.863E-14
+
+      iter #   8 total cpu time :  1346.1 secs   av.it.:   9.1
+      thresh= 1.965E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.902E-16
+
+      iter #   9 total cpu time :  1353.8 secs   av.it.:   9.0
+      thresh= 2.627E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.745E-17
+
+     End of self-consistent calculation
+
+     Convergence has been achieved 
+
+     Number of q in the star =    6
+     List of q in the star:
+          1   0.250000000   0.433012702  -0.193607630
+          2  -0.250000000  -0.433012702   0.193607630
+          3   0.250000000  -0.433012702  -0.193607630
+          4   0.500000000   0.000000000   0.193607630
+          5  -0.500000000   0.000000000   0.193607630
+          6  -0.250000000   0.433012702   0.193607630
+
+     Diagonalizing the dynamical matrix
+
+     q = (    0.250000000   0.433012702  -0.193607630 ) 
+
+ **************************************************************************
+     freq (    1) =      13.032877 [THz] =     434.729994 [cm-1]
+     freq (    2) =      13.032877 [THz] =     434.729994 [cm-1]
+     freq (    3) =      21.029358 [THz] =     701.463887 [cm-1]
+     freq (    4) =      21.029358 [THz] =     701.463887 [cm-1]
+     freq (    5) =      25.680919 [THz] =     856.623246 [cm-1]
+     freq (    6) =      25.680919 [THz] =     856.623246 [cm-1]
+     freq (    7) =      32.661135 [THz] =    1089.458203 [cm-1]
+     freq (    8) =      32.661135 [THz] =    1089.458203 [cm-1]
+     freq (    9) =      41.162947 [THz] =    1373.048119 [cm-1]
+     freq (   10) =      41.162947 [THz] =    1373.048119 [cm-1]
+     freq (   11) =      42.523574 [THz] =    1418.433735 [cm-1]
+     freq (   12) =      42.523574 [THz] =    1418.433735 [cm-1]
+ **************************************************************************
+
+     init_run     :      0.16s CPU      0.17s WALL (       7 calls)
+     electrons    :     30.67s CPU     31.76s WALL (       7 calls)
+
+     Called by init_run:
+     wfcinit      :      0.00s CPU      0.00s WALL (       7 calls)
+     potinit      :      0.02s CPU      0.02s WALL (       7 calls)
+     hinit0       :      0.10s CPU      0.10s WALL (       7 calls)
+
+     Called by electrons:
+     c_bands      :     30.67s CPU     31.76s WALL (       7 calls)
+     v_of_rho     :      0.02s CPU      0.02s WALL (       8 calls)
+     newd         :      0.01s CPU      0.02s WALL (       8 calls)
+
+     Called by c_bands:
+     init_us_2    :      2.82s CPU      2.95s WALL (  130584 calls)
+     init_us_2:cp :      2.70s CPU      2.83s WALL (  130584 calls)
+     cegterg      :     26.23s CPU     27.14s WALL (    2096 calls)
+
+     Called by *egterg:
+     cdiaghg      :      3.81s CPU      3.94s WALL (   23918 calls)
+     h_psi        :    770.04s CPU    804.21s WALL ( 1203130 calls)
+     s_psi        :    113.40s CPU    118.51s WALL ( 2502430 calls)
+     g_psi        :      0.09s CPU      0.09s WALL (   21822 calls)
+
+     Called by h_psi:
+     h_psi:calbec :     70.10s CPU     73.20s WALL ( 1203130 calls)
+     vloc_psi     :    642.71s CPU    671.22s WALL ( 1203130 calls)
+     add_vuspsi   :     53.08s CPU     55.53s WALL ( 1203130 calls)
+
+     General routines
+     calbec       :    160.33s CPU    167.55s WALL ( 2728006 calls)
+     fft          :      1.49s CPU      1.55s WALL (   13139 calls)
+     ffts         :      1.74s CPU      1.84s WALL (   16312 calls)
+     fftw         :    747.67s CPU    780.75s WALL (20024758 calls)
+     interpolate  :      0.27s CPU      0.29s WALL (    1816 calls)
+     davcio       :      6.75s CPU      7.17s WALL (  618032 calls)
+
+     Parallel routines
+
+     PHONON       :  21m36.45s CPU  22m34.03s WALL
+
+     INITIALIZATION: 
+     phq_setup    :      0.03s CPU      0.04s WALL (       8 calls)
+     phq_init     :      9.63s CPU     10.00s WALL (       8 calls)
+
+     phq_init     :      9.63s CPU     10.00s WALL (       8 calls)
+     init_vloc    :      0.02s CPU      0.02s WALL (       8 calls)
+     init_us_1    :      0.09s CPU      0.09s WALL (       8 calls)
+     init_us_2    :      2.82s CPU      2.95s WALL (  130584 calls)
+     newd         :      0.01s CPU      0.02s WALL (       8 calls)
+     dvanqq       :      0.23s CPU      0.23s WALL (       8 calls)
+     drho         :      8.05s CPU      8.36s WALL (       8 calls)
+
+     DYNAMICAL MATRIX:
+     dynmat0      :      0.88s CPU      0.92s WALL (       8 calls)
+     phqscf       :   1243.87s CPU   1299.31s WALL (       8 calls)
+     dynmatrix    :      0.01s CPU      0.02s WALL (       8 calls)
+
+     phqscf       :   1243.87s CPU   1299.31s WALL (       8 calls)
+     solve_linter :   1237.59s CPU   1292.66s WALL (      72 calls)
+     drhodv       :      4.77s CPU      5.03s WALL (      72 calls)
+
+     dynmat0      :      0.88s CPU      0.92s WALL (       8 calls)
+     dynmat_us    :      0.87s CPU      0.90s WALL (       8 calls)
+     d2ionq       :      0.02s CPU      0.02s WALL (       8 calls)
+
+     dynmat_us    :      0.87s CPU      0.90s WALL (       8 calls)
+     addusdynmat  :      0.00s CPU      0.00s WALL (       8 calls)
+
+     phqscf       :   1243.87s CPU   1299.31s WALL (       8 calls)
+     solve_linter :   1237.59s CPU   1292.66s WALL (      72 calls)
+
+     solve_linter :   1237.59s CPU   1292.66s WALL (      72 calls)
+     dvqpsi_us    :     14.54s CPU     15.33s WALL (   13536 calls)
+     sth_kernel   :   1221.12s CPU   1275.05s WALL (     652 calls)
+     apply_dpot_b :     70.51s CPU     73.81s WALL (  108768 calls)
+     ortho        :     20.40s CPU     21.37s WALL (  122064 calls)
+     cgsolve      :   1025.64s CPU   1070.94s WALL (  122064 calls)
+     incdrhoscf   :     87.59s CPU     91.11s WALL (  122064 calls)
+     addusddens   :      1.78s CPU      1.84s WALL (     717 calls)
+     dv_of_drho   :      1.09s CPU      1.13s WALL (     854 calls)
+     mix_pot      :      0.27s CPU      0.33s WALL (     652 calls)
+     psymdvscf    :      3.39s CPU      3.47s WALL (     645 calls)
+     newdq        :      1.72s CPU      1.84s WALL (     652 calls)
+     adddvscf     :      7.43s CPU      7.80s WALL (  108768 calls)
+     drhodvus     :      0.02s CPU      0.02s WALL (      72 calls)
+
+     dvqpsi_us    :     14.54s CPU     15.33s WALL (   13536 calls)
+     dvqpsi_us_on :      4.05s CPU      4.26s WALL (   13536 calls)
+
+     cgsolve      :   1025.64s CPU   1070.94s WALL (  122064 calls)
+     ch_psi       :    988.89s CPU   1032.64s WALL ( 1177116 calls)
+
+     ch_psi       :    988.89s CPU   1032.64s WALL ( 1177116 calls)
+     h_psi        :    770.04s CPU    804.21s WALL ( 1203130 calls)
+     last         :    174.23s CPU    181.71s WALL ( 1177116 calls)
+
+     h_psi        :    770.04s CPU    804.21s WALL ( 1203130 calls)
+     add_vuspsi   :     53.08s CPU     55.53s WALL ( 1203130 calls)
+
+     incdrhoscf   :     87.59s CPU     91.11s WALL (  122064 calls)
+     addusdbec    :     10.48s CPU     10.90s WALL (  135120 calls)
+
+     drhodvus     :      0.02s CPU      0.02s WALL (      72 calls)
+
+      General routines
+     calbec       :    160.33s CPU    167.55s WALL ( 2728006 calls)
+     fft          :      1.49s CPU      1.55s WALL (   13139 calls)
+     ffts         :      1.74s CPU      1.84s WALL (   16312 calls)
+     fftw         :    747.67s CPU    780.75s WALL (20024758 calls)
+     davcio       :      6.75s CPU      7.17s WALL (  618032 calls)
+     write_rec    :      0.24s CPU      0.59s WALL (     724 calls)
+
+
+     PHONON       :  21m36.45s CPU  22m34.03s WALL
+
+
+   This run was terminated on:  16:47:20   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/graphite/q2r.in b/user_static/data/graphite/q2r.in
new file mode 100644
index 0000000..ab9c307
--- /dev/null
+++ b/user_static/data/graphite/q2r.in
@@ -0,0 +1,6 @@
+Graphite
+&INPUT
+  fildyn = 'graphite.dyn'
+  zasr = 'crystal'
+  flfrc = 'graphite.fc'
+/
diff --git a/user_static/data/graphite/q2r.out b/user_static/data/graphite/q2r.out
new file mode 100644
index 0000000..48df2b8
--- /dev/null
+++ b/user_static/data/graphite/q2r.out
@@ -0,0 +1,104 @@
+
+     Program Q2R v.7.1 starts on  2May2024 at 16:47:21 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     222591 MiB available memory on the printing compute node when the environment starts
+
+
+     reading grid info from file graphite.dyn0    
+  reading force constants from file graphite.dyn1
+ macroscopic fields = T
+  74.55811  -0.00000   0.00000
+  -0.00000  74.55811   0.00000
+   0.00000   0.00000   3.59778
+  na=            1
+   0.79194   0.00000  -0.00000
+   0.00000   0.79194  -0.00000
+   0.00000  -0.00000   0.10475
+  na=            2
+  -0.80966   0.00000  -0.00000
+  -0.00000  -0.80966   0.00000
+   0.00000  -0.00000  -0.10055
+  na=            3
+   0.79194   0.00000   0.00000
+   0.00000   0.79194   0.00000
+   0.00000   0.00000   0.10475
+  na=            4
+  -0.80966   0.00000   0.00000
+  -0.00000  -0.80966  -0.00000
+   0.00000   0.00000  -0.10055
+Norm of the difference between old and new effective charges:    0.02542144192022543353
+  nqs=            1
+ q=   0.00000000  0.00000000  0.00000000
+  reading force constants from file graphite.dyn2
+  nqs=            1
+ q=   0.00000000  0.00000000 -0.19360763
+  reading force constants from file graphite.dyn3
+  nqs=            6
+ q=   0.00000000  0.28867514  0.00000000
+ q=   0.00000000 -0.28867514  0.00000000
+ q=  -0.25000000 -0.14433757  0.00000000
+ q=   0.25000000 -0.14433757  0.00000000
+ q=  -0.25000000  0.14433757  0.00000000
+ q=   0.25000000  0.14433757  0.00000000
+  reading force constants from file graphite.dyn4
+  nqs=            6
+ q=   0.00000000  0.28867514 -0.19360763
+ q=   0.00000000 -0.28867514  0.19360763
+ q=  -0.25000000 -0.14433757  0.19360763
+ q=   0.25000000 -0.14433757  0.19360763
+ q=  -0.25000000  0.14433757  0.19360763
+ q=   0.25000000  0.14433757  0.19360763
+  reading force constants from file graphite.dyn5
+  nqs=            3
+ q=   0.00000000 -0.57735027  0.00000000
+ q=   0.50000000  0.28867514  0.00000000
+ q=  -0.50000000  0.28867514  0.00000000
+  reading force constants from file graphite.dyn6
+  nqs=            3
+ q=   0.00000000 -0.57735027 -0.19360763
+ q=   0.50000000  0.28867514  0.19360763
+ q=  -0.50000000  0.28867514  0.19360763
+  reading force constants from file graphite.dyn7
+  nqs=            6
+ q=   0.25000000  0.43301270  0.00000000
+ q=  -0.25000000 -0.43301270  0.00000000
+ q=   0.25000000 -0.43301270  0.00000000
+ q=   0.50000000  0.00000000  0.00000000
+ q=  -0.50000000  0.00000000  0.00000000
+ q=  -0.25000000  0.43301270  0.00000000
+  reading force constants from file graphite.dyn8
+  nqs=            6
+ q=   0.25000000  0.43301270 -0.19360763
+ q=  -0.25000000 -0.43301270  0.19360763
+ q=   0.25000000 -0.43301270 -0.19360763
+ q=   0.50000000  0.00000000  0.19360763
+ q=  -0.50000000  0.00000000  0.19360763
+ q=  -0.25000000  0.43301270  0.19360763
+
+      q-space grid ok, #points =   32
+
+      fft-check warning: sum of imaginary terms = 1.299227E-12
+
+     Q2R          :      0.03s CPU      0.03s WALL
+
+
+   This run was terminated on:  16:47:21   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/data/graphite/scf.in b/user_static/data/graphite/scf.in
new file mode 100644
index 0000000..1bb2fe2
--- /dev/null
+++ b/user_static/data/graphite/scf.in
@@ -0,0 +1,32 @@
+&control
+   calculation = 'scf'
+   restart_mode='from_scratch',
+   prefix='graphite'
+   pseudo_dir ='/home/bonacc_m/Codes/q-e/pseudo'
+   outdir='/home/bonacc_m/Documents/phonons/example16/TMP_graphite'
+/
+
+&system
+    ibrav           = 4 
+    celldm(1)       = 4.64630333
+    celldm(3)       = 2.58254285
+    nat             = 4 
+    ntyp            = 1
+    ecutwfc         = 30.0
+    ecutrho         = 180.0
+/
+
+&electrons
+    conv_thr        = 1.0d-12
+/
+ATOMIC_SPECIES
+C   12.00   C.pbe-rrkjus.UPF
+
+ATOMIC_POSITIONS (CRYSTAL)
+C        0.000000000   0.000000000   0.000000000
+C        0.333333333   0.666666667   0.000000000
+C        0.000000000   0.000000000   0.500000000
+C        0.666666667   0.333333333   0.500000000
+
+K_POINTS automatic
+8 8 4 1 1 1
diff --git a/user_static/data/graphite/scf.out b/user_static/data/graphite/scf.out
new file mode 100644
index 0000000..d9a4f4a
--- /dev/null
+++ b/user_static/data/graphite/scf.out
@@ -0,0 +1,482 @@
+
+     Program PWSCF v.7.1 starts on  2May2024 at 16:24:44 
+
+     This program is part of the open-source Quantum ESPRESSO suite
+     for quantum simulation of materials; please cite
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
+         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
+         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
+          URL http://www.quantum-espresso.org", 
+     in publications or presentations arising from this work. More details at
+     http://www.quantum-espresso.org/quote
+
+     Parallel version (MPI & OpenMP), running on       6 processor cores
+     Number of MPI processes:                 6
+     Threads/MPI process:                     1
+
+     MPI processes distributed on     1 nodes
+     222298 MiB available memory on the printing compute node when the environment starts
+
+     Waiting for input...
+     Reading input from standard input
+
+     Current dimensions of program PWSCF are:
+     Max number of different atomic species (ntypx) = 10
+     Max number of k-points (npk) =  40000
+     Max angular momentum in pseudopotentials (lmaxx) =  4
+     file C.pbe-rrkjus.UPF: wavefunction(s)  2S 2P renormalized
+
+     R & G space division:  proc/nbgrp/npool/nimage =       6
+     Subspace diagonalization in iterative solution of the eigenvalue problem:
+     a serial algorithm will be used
+
+
+     Parallelization info
+     --------------------
+     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
+     Min          43      30     10                 1516      823     184
+     Max          45      32     11                 1521      825     193
+     Sum         265     187     61                 9111     4943    1117
+
+     Using Slab Decomposition
+
+
+
+     bravais-lattice index     =            4
+     lattice parameter (alat)  =       4.6463  a.u.
+     unit-cell volume          =     224.3370 (a.u.)^3
+     number of atoms/cell      =            4
+     number of atomic types    =            1
+     number of electrons       =        16.00
+     number of Kohn-Sham states=            8
+     kinetic-energy cutoff     =      30.0000  Ry
+     charge density cutoff     =     180.0000  Ry
+     scf convergence threshold =      1.0E-12
+     mixing beta               =       0.7000
+     number of iterations used =            8  plain     mixing
+     Exchange-correlation= SLA  PW   PBE  PBE
+                           (   1   4   3   4   0   0   0)
+
+     celldm(1)=   4.646303  celldm(2)=   0.000000  celldm(3)=   2.582543
+     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000
+
+     crystal axes: (cart. coord. in units of alat)
+               a(1) = (   1.000000   0.000000   0.000000 )  
+               a(2) = (  -0.500000   0.866025   0.000000 )  
+               a(3) = (   0.000000   0.000000   2.582543 )  
+
+     reciprocal axes: (cart. coord. in units 2 pi/alat)
+               b(1) = (  1.000000  0.577350 -0.000000 )  
+               b(2) = (  0.000000  1.154701  0.000000 )  
+               b(3) = (  0.000000 -0.000000  0.387215 )  
+
+
+     PseudoPot. # 1 for C  read from file:
+     /home/bonacc_m/Codes/q-e/pseudo/C.pbe-rrkjus.UPF
+     MD5 check sum: c9ac5a99bc85b198593446162950cd17
+     Pseudo is Ultrasoft, Zval =  4.0
+     Generated by new atomic code, or converted to UPF format
+     Using radial grid of  627 points,  4 beta functions with: 
+                l(1) =   0
+                l(2) =   0
+                l(3) =   1
+                l(4) =   1
+     Q(r) pseudized with 0 coefficients 
+
+
+     atomic species   valence    mass     pseudopotential
+        C              4.00    12.00000     C ( 1.00)
+
+     24 Sym. Ops., with inversion, found (12 have fractional translation)
+
+
+
+   Cartesian axes
+
+     site n.     atom                  positions (alat units)
+         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
+         2           C   tau(   2) = (  -0.0000000   0.5773503   0.0000000  )
+         3           C   tau(   3) = (   0.0000000   0.0000000   1.2912714  )
+         4           C   tau(   4) = (   0.5000000   0.2886751   1.2912714  )
+
+     number of k points=    40
+                       cart. coord. in units 2pi/alat
+        k(    1) = (   0.0625000   0.1082532   0.0484019), wk =   0.0312500
+        k(    2) = (   0.0625000   0.1082532   0.1452057), wk =   0.0312500
+        k(    3) = (   0.0625000   0.2525907   0.0484019), wk =   0.0625000
+        k(    4) = (   0.0625000   0.2525907   0.1452057), wk =   0.0625000
+        k(    5) = (   0.0625000   0.3969283   0.0484019), wk =   0.0625000
+        k(    6) = (   0.0625000   0.3969283   0.1452057), wk =   0.0625000
+        k(    7) = (   0.0625000   0.5412659   0.0484019), wk =   0.0625000
+        k(    8) = (   0.0625000   0.5412659   0.1452057), wk =   0.0625000
+        k(    9) = (   0.0625000  -0.4690971   0.0484019), wk =   0.0625000
+        k(   10) = (   0.0625000  -0.4690971   0.1452057), wk =   0.0625000
+        k(   11) = (   0.0625000  -0.3247595   0.0484019), wk =   0.0625000
+        k(   12) = (   0.0625000  -0.3247595   0.1452057), wk =   0.0625000
+        k(   13) = (   0.0625000  -0.1804220   0.0484019), wk =   0.0625000
+        k(   14) = (   0.0625000  -0.1804220   0.1452057), wk =   0.0625000
+        k(   15) = (   0.0625000  -0.0360844   0.0484019), wk =   0.0312500
+        k(   16) = (   0.0625000  -0.0360844   0.1452057), wk =   0.0312500
+        k(   17) = (   0.1875000   0.3247595   0.0484019), wk =   0.0312500
+        k(   18) = (   0.1875000   0.3247595   0.1452057), wk =   0.0312500
+        k(   19) = (   0.1875000   0.4690971   0.0484019), wk =   0.0625000
+        k(   20) = (   0.1875000   0.4690971   0.1452057), wk =   0.0625000
+        k(   21) = (   0.1875000   0.6134347   0.0484019), wk =   0.0625000
+        k(   22) = (   0.1875000   0.6134347   0.1452057), wk =   0.0625000
+        k(   23) = (   0.1875000  -0.3969283   0.0484019), wk =   0.0625000
+        k(   24) = (   0.1875000  -0.3969283   0.1452057), wk =   0.0625000
+        k(   25) = (   0.1875000  -0.2525907   0.0484019), wk =   0.0625000
+        k(   26) = (   0.1875000  -0.2525907   0.1452057), wk =   0.0625000
+        k(   27) = (   0.1875000  -0.1082532   0.0484019), wk =   0.0312500
+        k(   28) = (   0.1875000  -0.1082532   0.1452057), wk =   0.0312500
+        k(   29) = (   0.3125000   0.5412659   0.0484019), wk =   0.0312500
+        k(   30) = (   0.3125000   0.5412659   0.1452057), wk =   0.0312500
+        k(   31) = (   0.3125000   0.6856034   0.0484019), wk =   0.0625000
+        k(   32) = (   0.3125000   0.6856034   0.1452057), wk =   0.0625000
+        k(   33) = (   0.3125000  -0.3247595   0.0484019), wk =   0.0625000
+        k(   34) = (   0.3125000  -0.3247595   0.1452057), wk =   0.0625000
+        k(   35) = (   0.3125000  -0.1804220   0.0484019), wk =   0.0312500
+        k(   36) = (   0.3125000  -0.1804220   0.1452057), wk =   0.0312500
+        k(   37) = (   0.4375000   0.7577722   0.0484019), wk =   0.0312500
+        k(   38) = (   0.4375000   0.7577722   0.1452057), wk =   0.0312500
+        k(   39) = (   0.4375000  -0.2525907   0.0484019), wk =   0.0312500
+        k(   40) = (   0.4375000  -0.2525907   0.1452057), wk =   0.0312500
+
+     Dense  grid:     9111 G-vectors     FFT dimensions: (  20,  20,  54)
+
+     Smooth grid:     4943 G-vectors     FFT dimensions: (  18,  18,  48)
+
+     Estimated max dynamical RAM per process >       2.84 MB
+
+     Estimated total dynamical RAM >      17.03 MB
+
+     Initial potential from superposition of free atoms
+
+     starting charge      15.9998, renormalised to      16.0000
+     Starting wfcs are   16 randomized atomic wfcs
+
+     total cpu time spent up to now is        0.2 secs
+
+     Self-consistent Calculation
+
+     iteration #  1     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.00E-02,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        0.3 secs
+
+     total energy              =     -45.52848595 Ry
+     estimated scf accuracy    <       0.36934352 Ry
+
+     iteration #  2     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.31E-03,  avg # of iterations =  2.0
+
+     total cpu time spent up to now is        0.4 secs
+
+     total energy              =     -45.57155865 Ry
+     estimated scf accuracy    <       0.00445396 Ry
+
+     iteration #  3     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.78E-05,  avg # of iterations =  2.3
+
+     total cpu time spent up to now is        0.6 secs
+
+     total energy              =     -45.57238189 Ry
+     estimated scf accuracy    <       0.00024913 Ry
+
+     iteration #  4     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.56E-06,  avg # of iterations =  3.1
+
+     total cpu time spent up to now is        0.8 secs
+
+     total energy              =     -45.57244801 Ry
+     estimated scf accuracy    <       0.00000470 Ry
+
+     iteration #  5     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.94E-08,  avg # of iterations =  3.9
+
+     total cpu time spent up to now is        0.9 secs
+
+     total energy              =     -45.57245141 Ry
+     estimated scf accuracy    <       0.00000035 Ry
+
+     iteration #  6     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.18E-09,  avg # of iterations =  2.9
+
+     total cpu time spent up to now is        1.1 secs
+
+     total energy              =     -45.57245150 Ry
+     estimated scf accuracy    <       0.00000004 Ry
+
+     iteration #  7     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  2.49E-10,  avg # of iterations =  3.3
+
+     total cpu time spent up to now is        1.2 secs
+
+     total energy              =     -45.57245152 Ry
+     estimated scf accuracy    <          2.2E-09 Ry
+
+     iteration #  8     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.35E-11,  avg # of iterations =  3.1
+
+     total cpu time spent up to now is        1.3 secs
+
+     total energy              =     -45.57245152 Ry
+     estimated scf accuracy    <          2.8E-11 Ry
+
+     iteration #  9     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.77E-13,  avg # of iterations =  4.8
+
+     total cpu time spent up to now is        1.5 secs
+
+     total energy              =     -45.57245152 Ry
+     estimated scf accuracy    <          1.3E-10 Ry
+
+     iteration # 10     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.77E-13,  avg # of iterations =  3.4
+
+     total cpu time spent up to now is        1.7 secs
+
+     total energy              =     -45.57245152 Ry
+     estimated scf accuracy    <          7.1E-12 Ry
+
+     iteration # 11     ecut=    30.00 Ry     beta= 0.70
+     Davidson diagonalization with overlap
+     ethr =  1.00E-13,  avg # of iterations =  2.5
+
+     total cpu time spent up to now is        1.8 secs
+
+     End of self-consistent calculation
+
+          k = 0.0625 0.1083 0.0484 (   600 PWs)   bands (ev):
+
+   -11.7683 -11.3568  -0.7009   1.6374   3.6195   3.6613   4.0550   4.0882
+
+          k = 0.0625 0.1083 0.1452 (   601 PWs)   bands (ev):
+
+   -11.6550 -11.4849  -0.1030   0.8471   3.6326   3.6500   4.0637   4.0775
+
+          k = 0.0625 0.2526 0.0484 (   619 PWs)   bands (ev):
+
+   -10.8381 -10.4486   0.4227   1.0007   1.1190   2.6642   2.6678   2.7374
+
+          k = 0.0625 0.2526 0.1452 (   616 PWs)   bands (ev):
+
+   -10.7304 -10.5694   0.9926   1.0366   1.0884   1.9130   2.6859   2.7158
+
+          k = 0.0625 0.3969 0.0484 (   625 PWs)   bands (ev):
+
+    -9.1937  -8.8432  -2.2657  -2.0697   1.4884   1.5786   2.3612   4.3666
+
+          k = 0.0625 0.3969 0.1452 (   627 PWs)   bands (ev):
+
+    -9.0962  -8.9512  -2.2100  -2.1288   1.5145   1.5519   2.8870   3.7073
+
+          k = 0.0625 0.5413 0.0484 (   627 PWs)   bands (ev):
+
+    -6.9723  -6.7074  -5.2419  -5.0199   0.9393   1.0349   4.6390   5.7223
+
+          k = 0.0625 0.5413 0.1452 (   624 PWs)   bands (ev):
+
+    -6.8959  -6.7860  -5.1827  -5.0905   0.9669   1.0065   5.0039   5.4713
+
+          k = 0.0625-0.4691 0.0484 (   626 PWs)   bands (ev):
+
+    -8.1286  -7.8054  -3.8503  -3.6231   1.1249   1.2188   3.5443   5.2640
+
+          k = 0.0625-0.4691 0.1452 (   627 PWs)   bands (ev):
+
+    -8.0381  -7.9044  -3.7862  -3.6922   1.1520   1.1909   4.0165   4.7279
+
+          k = 0.0625-0.3248 0.0484 (   623 PWs)   bands (ev):
+
+   -10.1019  -9.7298  -0.6200  -0.4611   1.3009   2.0126   2.0962   3.4541
+
+          k = 0.0625-0.3248 0.1452 (   624 PWs)   bands (ev):
+
+    -9.9987  -9.8449  -0.5746  -0.5088   1.8575   2.0368   2.0714   2.7352
+
+          k = 0.0625-0.1804 0.0484 (   613 PWs)   bands (ev):
+
+   -11.3950 -10.9923  -0.2485   2.0540   2.4729   2.5473   3.3864   3.4392
+
+          k = 0.0625-0.1804 0.1452 (   607 PWs)   bands (ev):
+
+   -11.2839 -11.1175   0.3411   1.2771   2.4952   2.5259   3.4012   3.4231
+
+          k = 0.0625-0.0361 0.0484 (   596 PWs)   bands (ev):
+
+   -11.9555 -11.5395  -0.9285   1.4269   4.2682   4.3112   4.4462   4.4849
+
+          k = 0.0625-0.0361 0.1452 (   604 PWs)   bands (ev):
+
+   -11.8411 -11.6692  -0.3266   0.6302   4.2807   4.2985   4.4574   4.4735
+
+          k = 0.1875 0.3248 0.0484 (   622 PWs)   bands (ev):
+
+    -9.5562  -9.1970  -0.8451  -0.7564   0.5809   0.6462   1.9513   4.0358
+
+          k = 0.1875 0.3248 0.1452 (   625 PWs)   bands (ev):
+
+    -9.4564  -9.3079  -0.8177  -0.7810   0.5967   0.6238   2.4926   3.3432
+
+          k = 0.1875 0.4691 0.0484 (   630 PWs)   bands (ev):
+
+    -7.6107  -7.3008  -3.5011  -3.3035  -0.7451  -0.6098   4.1750   5.8577
+
+          k = 0.1875 0.4691 0.1452 (   627 PWs)   bands (ev):
+
+    -7.5238  -7.3956  -3.4448  -3.3630  -0.7073  -0.6513   4.6355   5.3307
+
+          k = 0.1875 0.6134 0.0484 (   629 PWs)   bands (ev):
+
+    -6.4811  -6.2289  -4.8066  -4.6044  -0.9746  -0.8282   5.2933   6.3772
+
+          k = 0.1875 0.6134 0.1452 (   629 PWs)   bands (ev):
+
+    -6.4082  -6.3035  -4.7525  -4.6684  -0.9333  -0.8727   5.6581   6.1277
+
+          k = 0.1875-0.3969 0.0484 (   628 PWs)   bands (ev):
+
+    -8.6588  -8.3213  -2.0965  -1.9539  -0.2498  -0.1455   2.9986   4.9378
+
+          k = 0.1875-0.3969 0.1452 (   629 PWs)   bands (ev):
+
+    -8.5647  -8.4251  -2.0546  -1.9954  -0.2220  -0.1787   3.5089   4.3027
+
+          k = 0.1875-0.2526 0.0484 (   622 PWs)   bands (ev):
+
+   -10.2855  -9.9090   0.1297   0.2379   1.0852   1.6591   1.7338   3.2653
+
+          k = 0.1875-0.2526 0.1452 (   619 PWs)   bands (ev):
+
+   -10.1812 -10.0256   0.1615   0.2062   1.6472   1.6797   1.7106   2.5357
+
+          k = 0.1875-0.1083 0.0484 (   618 PWs)   bands (ev):
+
+   -11.2089 -10.8106  -0.0238   1.8244   1.9329   2.2600   3.2682   3.3340
+
+          k = 0.1875-0.1083 0.1452 (   611 PWs)   bands (ev):
+
+   -11.0990 -10.9344   0.5613   1.4892   1.8569   1.9012   3.2874   3.3147
+
+          k = 0.3125 0.5413 0.0484 (   629 PWs)   bands (ev):
+
+    -5.5530  -5.3297  -4.5078  -4.3771  -2.7518  -2.6902   6.4388   7.5159
+
+          k = 0.3125 0.5413 0.1452 (   618 PWs)   bands (ev):
+
+    -5.4877  -5.3950  -4.4693  -4.4154  -2.7414  -2.7157   6.8106   7.2803
+
+          k = 0.3125 0.6856 0.0484 (   629 PWs)   bands (ev):
+
+    -6.6101  -6.3320  -3.9565  -3.7895  -1.9527  -1.8255   5.2939   6.7222
+
+          k = 0.3125 0.6856 0.1452 (   623 PWs)   bands (ev):
+
+    -6.5315  -6.4164  -3.9080  -3.8387  -1.9197  -1.8669   5.7061   6.3037
+
+          k = 0.3125-0.3248 0.0484 (   626 PWs)   bands (ev):
+
+    -8.4807  -8.1477  -2.9478  -2.7455   0.4877   0.6018   3.1842   5.0554
+
+          k = 0.3125-0.3248 0.1452 (   630 PWs)   bands (ev):
+
+    -8.3877  -8.2500  -2.8903  -2.8065   0.5203   0.5676   3.6825   4.4507
+
+          k = 0.3125-0.1804 0.0484 (   619 PWs)   bands (ev):
+
+    -9.7366  -9.3731  -1.4718  -1.2897   1.7289   2.0282   2.1071   3.8255
+
+          k = 0.3125-0.1804 0.1452 (   622 PWs)   bands (ev):
+
+    -9.6357  -9.4854  -1.4199  -1.3445   2.0511   2.0837   2.2737   3.1293
+
+          k = 0.4375 0.7578 0.0484 (   625 PWs)   bands (ev):
+
+    -6.4178  -6.2624  -5.3685  -5.2575   0.0981   0.2199   5.1298   5.9604
+
+          k = 0.4375 0.7578 0.1452 (   626 PWs)   bands (ev):
+
+    -6.3640  -6.2982  -5.3522  -5.3047   0.1330   0.1835   5.4510   5.8166
+
+          k = 0.4375-0.2526 0.0484 (   626 PWs)   bands (ev):
+
+    -7.6139  -7.3083  -4.6443  -4.4057   1.3169   1.4008   4.0511   5.5077
+
+          k = 0.4375-0.2526 0.1452 (   623 PWs)   bands (ev):
+
+    -7.5280  -7.4015  -4.5777  -4.4789   1.3412   1.3760   4.4791   5.0912
+
+     highest occupied level (ev):     7.5159
+
+!    total energy              =     -45.57245152 Ry
+     estimated scf accuracy    <          5.0E-13 Ry
+
+     The total energy is the sum of the following terms:
+     one-electron contribution =      -7.07251490 Ry
+     hartree contribution      =      11.84820263 Ry
+     xc contribution           =     -14.07896184 Ry
+     ewald contribution        =     -36.26917740 Ry
+
+     convergence has been achieved in  11 iterations
+
+     Writing all to output data dir /home/bonacc_m/Documents/phonons/example16/TMP_graphite/graphite.save/
+
+     init_run     :      0.10s CPU      0.10s WALL (       1 calls)
+     electrons    :      1.56s CPU      1.66s WALL (       1 calls)
+
+     Called by init_run:
+     wfcinit      :      0.08s CPU      0.08s WALL (       1 calls)
+     potinit      :      0.00s CPU      0.00s WALL (       1 calls)
+     hinit0       :      0.01s CPU      0.01s WALL (       1 calls)
+
+     Called by electrons:
+     c_bands      :      1.34s CPU      1.42s WALL (      11 calls)
+     sum_band     :      0.18s CPU      0.20s WALL (      11 calls)
+     v_of_rho     :      0.02s CPU      0.02s WALL (      12 calls)
+     newd         :      0.02s CPU      0.02s WALL (      12 calls)
+     mix_rho      :      0.00s CPU      0.00s WALL (      11 calls)
+
+     Called by c_bands:
+     init_us_2    :      0.02s CPU      0.02s WALL (     920 calls)
+     init_us_2:cp :      0.02s CPU      0.02s WALL (     920 calls)
+     cegterg      :      1.30s CPU      1.38s WALL (     440 calls)
+
+     Called by *egterg:
+     cdiaghg      :      0.11s CPU      0.11s WALL (    1768 calls)
+     h_psi        :      1.00s CPU      1.05s WALL (    1808 calls)
+     s_psi        :      0.07s CPU      0.08s WALL (    1808 calls)
+     g_psi        :      0.00s CPU      0.00s WALL (    1328 calls)
+
+     Called by h_psi:
+     h_psi:calbec :      0.09s CPU      0.10s WALL (    1808 calls)
+     vloc_psi     :      0.82s CPU      0.87s WALL (    1808 calls)
+     add_vuspsi   :      0.07s CPU      0.08s WALL (    1808 calls)
+
+     General routines
+     calbec       :      0.12s CPU      0.13s WALL (    2248 calls)
+     fft          :      0.01s CPU      0.01s WALL (     153 calls)
+     ffts         :      0.00s CPU      0.00s WALL (      23 calls)
+     fftw         :      0.87s CPU      0.92s WALL (   26496 calls)
+     interpolate  :      0.00s CPU      0.00s WALL (      12 calls)
+
+     Parallel routines
+
+     PWSCF        :      1.73s CPU      1.83s WALL
+
+
+   This run was terminated on:  16:24:46   2May2024            
+
+=------------------------------------------------------------------------------=
+   JOB DONE.
+=------------------------------------------------------------------------------=
diff --git a/user_static/js/phononwebsite.js b/user_static/js/phononwebsite.js
index d578329..3ba2df3 100644
--- a/user_static/js/phononwebsite.js
+++ b/user_static/js/phononwebsite.js
@@ -1726,7 +1726,7 @@
                     title: { text: 'Frequency (cm<sup>-1</sup>)' },
                     plotLines: [ {value: 0, color: '#000000', width: 2} ]
                 },
-                tooltip: { formatter: function(x) { return Math.round(this.y*100)/100+' cm<sup>-1</sup>' } },
+                tooltip: { enabled: false, formatter: function(x) { return Math.round(this.y*100)/100+' cm<sup>-1</sup>' } },
                 legend: { enabled: false },
                 series: [],
                 plotOptions: { line:   { animation: false },
diff --git a/user_templates/visualizer_select_structure.html b/user_templates/visualizer_select_structure.html
index f97683b..1e19e0a 100644
--- a/user_templates/visualizer_select_structure.html
+++ b/user_templates/visualizer_select_structure.html
@@ -93,6 +93,10 @@ <h2>Pick an example</h2>
                         <option value='PbTe'>PbTe (2D)</option>
                         <option value='AgNO2'>AgNO&#8322; (2D)</option>
                         <option value='BaTiO_3'>BaTiO&#8323; (3D)</option>
+                        <option value='C4'>C (graphite) (3D)</option>
+                        <option value='C2'>C (diamond) (3D)</option>
+                        <option value='Al'>Al (aluminum) (3D)</option>
+                        <option value='GaAs'>GaAs (3D)</option>
                     </select>
                 </div>
             </div>