Function: Extract phonon frequencies and related data in band.yaml produced by Phonopy
Usage: Use "phonopy band.conf" command to generate band.yaml
band.conf set shoule be like (of course you can change some parameters if you want):
ATOM_NAME = Te Sn
DIM = 2 2 2
BAND = 0.3750000000 0.3750000000 0.7500000000 0.0000000000 0.0000000000 0.0000000000 0.5000000000 0.5000000000 0.5000000000 0.5000000000 0.2500000000 0.7500000000 0.5000000000 0.0000000000 0.5000000000
GROUP_VELOCITY = .TRUE.
GV_DELTA_Q = 0.01
then use "python gv.py" command to get gv.txt
note: # The unit of frequency is the same as that set in phonopy
Requirements： Python3 Pandas Numpy PyYaml
Acknowledgment: Liang Yan