[Pw_forum] Error:too many bands are not converged

[lan haiping]

Hi,
You may reduce your mixing parameters: mixing_beta or change the scheme of
diagonalization.

regards

2009/3/17 idoldog <idoldog at gmail.com>

> I alse change the k-point mesh from 6 6 6 to 4 4 4.
>
> all best
>
> --------------
> 李飞
>
>
>
> ========================
>
> 南开大学化学学院
>
> 天津市南开区卫津路94号
>
> Email:lifei.chn at mail.nankai.edu.cn <Email%3Alifei.chn at mail.nankai.edu.cn>
>
> QQ:155192560
>
> MSN:lifei.chn at hotmail.com <MSN%3Alifei.chn at hotmail.com>
>
> =======================
> 2009-03-17
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090317/09977679/attachment.htm