[Pw_forum] Erro in cdiagh or cdiaghg

Paolo Giannozzi giannozz at nest.sns.it
Sat Apr 9 17:15:55 CEST 2005


On Friday 08 April 2005 10:14, Sergey Lisenkov wrote:

> I got an error 'in cdiagh or cdiaghg'. Following the manual, I use 
> 'cg'  algoritm, but the error was the same. From 'diis' algoritm I got:
> [...]
>       from diis_step : error #         1 
>       negative norm in S

if all diagonalization algorithms have a problem, you either have
some weird input data, or bad pseudopotentials

Paolo



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