Re: [Pw_forum] Problem in ph.x (Wrong classes for C_3v)

Wed, 30 Aug 2017 01:45:48 -0700

Dear Liang
Maybe the problem comes from the crystal structure of your system. Could you also send the input of your scf calculation?

Pietro

Il 30 ago 2017 7:51 AM, LEUNG Clarence <[email protected]> ha scritto:

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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