[Pw_forum] The Number of iteraions

Lorenzo Paulatto paulatto at sissa.it
Wed Mar 4 14:25:24 CET 2009

On Wed, 04 Mar 2009 14:20:21 +0100, 潘登 <panda.deng.pan at gmail.com> wrote:
>   For a special scf run, and if I just want to run a few iteraion e.g
> a give number like 10.How can I use the proper parameter to define it.

dear Deng Pan,
there are two different parameters, one is for electronic iterations, the other for ionic iterations. They are both in the documentation (electron_maxstep and nstep).


Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
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