[Wien] (no subject)

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Nov 12 15:43:10 CET 2013


12.11.2013 18:04, kalsoom Khan wrote:
> i am doing the SCF for the BaAlSiH compound but when they ask from me
> the K-points, so when i give the K-points this give me this error
> -----> continue with dstart or execute kgen again or exit (c/e/x)

kgen has executed, it is dstart which has a problem:
>  >   dstart -c   (15:00:39) forrtl: severe (24): end-of-file during
> read, unit 81, file /data/new/azam/BaAlSiH/BaAlSiH.rsp

It cannot work with the file case.rsp which had to be prepared by lstart 
program.
So, search in the earlier stage: lstart should have been executed just 
before kgen program.
Check the case.outputst file and the files that should be generated: 
case.rsp, case.rspup, and case.rspdn

Best wishes
   Lyudmila Dobysheva
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