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I have used scph to get the PREFIX.scph_dfc2. I want to ask how can I get the renormalized 2nd-constants in ShengBTE format (FORCE_CONSTANT_2ND)? I see there are dfc2 and scph_to_qefc.py scripts. So maybe I need to use QE to calculate the original 2nd-constants and use scph_to_qefc.py script? (I am only familiar with VASP now.)
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Dear Dr. Tadano,
I have used scph to get the PREFIX.scph_dfc2. I want to ask how can I get the renormalized 2nd-constants in ShengBTE format (FORCE_CONSTANT_2ND)? I see there are dfc2 and scph_to_qefc.py scripts. So maybe I need to use QE to calculate the original 2nd-constants and use scph_to_qefc.py script? (I am only familiar with VASP now.)
Thank you very much.
Looking for your reply!
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