[Pw_forum] error in running band structure calculation in example01 under PW folder (QE version 5.0.2)
Ajit Kumar Jena
jenapsi at gmail.com
Thu Mar 13 05:32:20 CET 2014
Give the exact error message what you are getting after
the run, which is quite easier to dig out the issue.
Thanks & regards,
On Wed, Mar 12, 2014 at 10:55 PM, priya shrivastava <
priyashrivastava16 at gmail.com> wrote:
> >* It runs scf for Si successfully but gives error in band structure
> *>* calculation .Also I checked output files, for scf job is done
> *>* completely but no output is there for Si.bands.david.out.
> >run it manually, without redirecting output to a file
> Dear Sir,
> I commented the band structure calculation section in run_example and run it manually and surprisingly it runs fine ,I found that that error comes in redirecting output to file after performing band structure calculations,so my question is why error is not coming when it redirects o/p after scf calculation..I am sorry if that is a trivial query because i match the code of scf part and band part and except some technical tags code is same ..and how do i store output for band structure output by changing run_example ..
> Regrads and Thanks
> Research Scholar
> Indian Institute of Technology ,Bombay, India
> Pw_forum mailing list
> Pw_forum at pwscf.org
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