[QE-users] No IR vibrational peak
홍장희
janglight at uos.ac.kr
Mon Nov 28 03:37:06 CET 2022
Hi,
I was calculated ice cluster's vibration using ph.x.
but no IR peaks appeared.
I don't know the reason.
here my input & output
Normal modes for Wurtzite
&inputph
tr2_ph=1.0d-14,
prefix='ice_scf',
outdir='./out/'
epsil=.false.,
trans=.true.,
asr=.true.
fildyn='dmat.ice'
/
0.0 0.0 0.0
Thanks
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