[Pw_forum] relax with casino pseudopotential

Stefano Baroni baroni at sissa.it
Wed Apr 22 20:19:15 CEST 2009


which system? with which input data?
SB

On Apr 22, 2009, at 6:38 PM, mohaddeseh abbasnejad wrote:

>
> Dear all,
>
> Why does the stresses in the run with the converted CASINO  
> pseudopotential, using 1 1 1
> k points, have the undiagonal elements?
>
> Thanks in advance.
>
> Yours,
> Mohaddeseh
>
>
>
>
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
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