reduce w90 num_iter to run faster

qiaojunfeng · Mar 19, 2020 · 6b38183 · 6b38183
1 parent 0e3a4e9
commit 6b38183
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/aiida_wannier90_workflows/workflows/bands.py b/aiida_wannier90_workflows/workflows/bands.py
@@ -413,8 +413,8 @@ def setup_wannier90_parameters(self):
         number_of_atoms = len(self.ctx.current_structure.sites)
         if self.inputs.controls.do_mlwf:
             parameters.update({
-                'num_iter': 8000,
-                'conv_tol': 1e-8 * number_of_atoms,
+                'num_iter': 400,
+                'conv_tol': 1e-7 * number_of_atoms,
                 'conv_window': 3,
             })
         else: