[QE-users] erro in epw calculation

王绍菲 wangshaofei at ihep.ac.cn
Tue Dec 28 05:31:58 CET 2021


The elph coupling was calculate with the input fiel epw1.in.

the k--point and q-point were consistent with the scf.in and ph.in

After read phonon and write *.epb file. We got this erro.

     Writing epmatq on .epb files


     The .epb files have been correctly written



    Band disentanglement is used: nbndsub =   11


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine wigner_seitzkq (1):
      weights do not add up to nc1*nc2*nc3
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