[Pw_forum] vc-relax
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Tue Oct 19 15:59:56 CEST 2004
Hi,
Did you try "verbosity=high"?
Another possible solution comes from Axel Kohlmeyer:
try nstep >50.
Hope it helps.
Bests,
Eyvaz.
--- Philippe BARANEK <philippe.baranek at edfgdf.fr>
wrote:
> Dear pwscf users,
>
> I have got some problems with vc-relax calculations
> The calculations are running without printing any
> informations
> about new cell parameters and atomic positions.
> Furthermore,
> the optimisations seems to be locked around the
> pressure from
> the starting. The variation of stress matrix
> components are of the order
> of the second decimal in kbar.
>
> Would anyone of you have the same problems and could
> help me ?
>
> Thanks in advance
>
> Best Regards
>
> Philippe
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
__________________________________
Do you Yahoo!?
Yahoo! Mail - Helps protect you from nasty viruses.
http://promotions.yahoo.com/new_mail
More information about the Pw_forum
mailing list