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Using Phoebe to calculate band structure is inconsistent with phonopy

Open Yuanwz00 opened this issue 8 months ago • 14 comments

I use Phoebe to calculate band structure of 3C-SiC,but it is inconsistent with phonopy. I tried to use QE's force constant (sic444.fc), phonopy's force constant (FORCE CONSTANT.hdf5) and phono3py's force constant(fc2.hdf5) as phFC2File, but it didn't work. All of them failed to provide a right phonon band structure with nac correction.

Yuanwz00 avatar Oct 12 '23 04:10 Yuanwz00