[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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