[Pw_forum] Problem in ph.x (Wrong classes for C_3v)
LEUNG Clarence
liangxy123 at hotmail.com
Wed Aug 30 07:51:29 CEST 2017
Dear QE users,
I want to use QE to calculate photon dispersion by ph.x, but I face with a problem:
Error in routine divide_class (1):
Wrong classes for C_3v
and my ph.x input file
&INPUTPH
outdir='/home/MS70/Clarence/cubr/phonon',
verbosity='low',
prefix = 'unit' ,
tr2_ph = 1.0d-14 ,
ldisp = .true. ,
fildyn = '/home/MS70/Clarence/cubr/phonon/unit.dyn' ,
fildrho ='cubr.drho' ,
nq1 = 8 ,
nq2 = 8 ,
nq3 = 1 ,
/
Many thanks.
LIANG Xiongyi
City University of Hong Kong
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