[Pw_forum] (无主题)

yjunwei2012 yjunwei2012 at 163.com
Thu Mar 20 13:28:37 CET 2014


Hello dear QE user,

I am new user of QE-5.0.2,I meet a problem for band plotting with this version.

When I run bands.x <file.in> file.out, the file.out with the massage of:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     gamma_only case not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I have tried to install the espresso-5.0.2-5.0.3.diff, and displaced the /PP/scr/bands.f90 file

"IF (gamma_only) CALL errore('bands','gamma_only case not implemented',1)" after the line "CALL read_file()",

but in vain.

Could you please give any advice? Thank you very much.

Best regards
Jwy

2014-03-20



yjunwei2012
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