[Pw_forum] error in running band structure calculation in example01 under PW folder (QE version 5.0.2)
priyashrivastava16 at gmail.com
Wed Mar 12 18:25:55 CET 2014
>* 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
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
Indian Institute of Technology ,Bombay, India
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users