[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
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
---
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /
stefanobaroni (skype)
La morale est une logique de l'action comme la logique est une morale
de la pensée - Jean Piaget
Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090422/ec17df3d/attachment.html>
More information about the users
mailing list