[Pw_forum] Read_rho_general error in ph.x calculation

Zhiping Xu xuzp at tsinghua.edu.cn
Tue Sep 8 12:00:13 CEST 2015


Dear all:
I am now doing ph.x calculations with PAW. After scf, I got the following errors by running ph.x.

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from read_rho_general : error #         1
     Reading PAW becsum
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Here are the file list in the working directory

As.pbe-n-kjpaw_psl.0.2.UPF  InAs.matdyn  InAs.save  InAs.wfc2  InAs.wfc4                      job   ph.in
CRASH                       InAs.paw     InAs.wfc1  InAs.wfc3  In.pbe-dn-kjpaw_psl.0.2.2.UPF  _ph0  ph_log

and InAs.save subdirectory

As.pbe-n-kjpaw_psl.0.2.UPF  gvectors.dat                   K00002  K00005  K00008  K00011  K00014  K00017  K00020  K00023  K00026  K00029  K00032  K00035
charge-density.dat          In.pbe-dn-kjpaw_psl.0.2.2.UPF  K00003  K00006  K00009  K00012  K00015  K00018  K00021  K00024  K00027  K00030  K00033
data-file.xml               K00001                         K00004  K00007  K00010  K00013  K00016  K00019  K00022  K00025  K00028  K00031  K00034

Could anyone give me some hints to solve this issue?

Thanks.

Zhiping

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