[Pw_forum] example 05 band structure calculation

sreekar guddeti colonel.sreekar at gmail.com
Wed Apr 2 19:20:58 CEST 2008


Dear Users,
I run example 05 (espresso 4.0cvs)and get the output as

  cleaning /home/colonel/tmp... done
  running the scf calculation... done
  running pp.x to do a 2-d plot of the charge density... done
  running plotrho.x to generate rho.ps... done
  running the band-structure calculation for Si... done
  running the post-processing for band structure..../run_example: line 237:
15828 Segmentation fault      (core dumped) $BANDS_COMMAND < si.bands.in >
si.bands.out
Error condition encountered during test: exit status = 139
Aborting

so i try removing band structure evaluation part(post processing code) from
the script and charge density profile(2D) is successfully outputted. So pain
seems to be in bands. x part. This executable is there in bin directory.
Could anyone guide me...
Thanks,
Sreekar Guddeti
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080402/78fb92b0/attachment.html>


More information about the users mailing list