[QE-users] Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation

[zhangkan3 at mail.sysu.edu.cn]

Dear experts,

I have encountered an error to call off the job when doing a pw2bgw.x calculation after a band structure calculation. I intend to do a GW calculation by using berkeleyGW. This belongs to one step of the whole calculations. Here the input and error report:

&input_pw2bgw
   prefix = 'carbyne'
   real_or_complex = 2
   wfng_flag = .true.
   wfng_file = 'wfn'
   wfng_kgrid = .true.
   wfng_nk1 = 4  
   wfng_nk2 = 4
   wfng_nk3 = 7
   wfng_dk1 = 0.0 
   wfng_dk2 = 0.0
   wfng_dk3 = 0.0
   rhog_flag = .true.
   rhog_file = 'rho'
   vxcg_flag = .false.
   vxcg_file = 'vxc'
   vxc_flag = .true.
   vxc_file = 'vxc.dat'
   vxc_diag_nmin = 1
   vxc_diag_nmax = 24
   vxc_offdiag_nmin = 0
   vxc_offdiag_nmax = 0
/

 call write_vxc_g

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine rhoz_or_updw (1):
     wrong input
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

The files are uploaded to attachments.

all best,

Kan Zhang
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