[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
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> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
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