[Pw_forum] Error in example 22
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Mar 9 14:24:35 CET 2005
Hi,
You can try another diagonalization schem,
conjugate-gradient or diis method.
diagonalization='your_choice'
Davidson method is used by default.
Bests,
Eyvaz.
--- Lucas Fernandez Seivane <quevedin at gmail.com>
wrote:
> Hi to all
>
> when running example 22 I get this cryptic error
> message:
>
> from cdiaghg : error # 31
> info =/= 0
>
> What can I do?
>
> Thanks in advance
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
__________________________________
Celebrate Yahoo!'s 10th Birthday!
Yahoo! Netrospective: 100 Moments of the Web
http://birthday.yahoo.com/netrospective/
More information about the Pw_forum
mailing list