[Pw_forum] can someone help!

xirainbow nkxirainbow at gmail.com
Sat Jan 30 11:05:59 CET 2010


Dear George Manyali:

100 is the default value for scf iteration.
You can change it by hand.

On Sat, Jan 30, 2010 at 4:58 PM, george manyali <georgemanyali at gmail.com>wrote:

> does any one know why scf calculation stops after 100 iterations even
> though the system has not converged.how can the problem be solved?
> --
>
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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