[Pw_forum] Error diis diagonalization?

[lan haiping]

you can find in INPUT_PW :
 'diis' :  DIIS-like diagonalization - PRESENTLY DISABLED

regards,
h.p


On 10/18/06, Nguyen Ngoc Ha <nguyenhalvt at yahoo.com> wrote:
>
>   Dear PWscf Users!
> I used diis diagonalization to calculte singpoint with
> large cell, but result is a message:
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>     from iosys : error #         1
>     diis diagonalization disabled
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Using cg or david diagonalization are well!
>   Please help me the error!
>   Best regards!
>
> Nguyen, Ngoc Ha
> Hanoi University of Education
> Faculty of Chemistry
> Department of Physical Chemistry
> Tel: Office: 04/8330842
> Home: 04/7681083
> Mobile: 0912129517
>
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