Dear friend, see these two parameters, nstep and electron_maxstep, for detail.
as far as I know, the default value many suitable for most of situations. for specific purpose you can define it following the manual hope helps vega On Wed, Mar 4, 2009 at 9:25 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote: > On Wed, 04 Mar 2009 14:20:21 +0100, ?????? <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). > > cheers > > > > > -- > Lorenzo Paulatto > SISSA & DEMOCRITOS (Trieste) > phone: +39 040 3787 511 > skype: paulatz > www: http://people.sissa.it/~paulatto/ > > *** save italian brains *** > http://saveitalianbrains.wordpress.com/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ================================================================================== Vega Lew ( weijia liu) PH.D Candidate in Chemical Engineering State Key Laboratory of Materials-oriented Chemical Engineering College of Chemistry and Chemical Engineering Nanjing University of Technology, 210009, Nanjing, Jiangsu, China ****************************************************************************************************************** Email: vegalew at gmail.com Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu, China ****************************************************************************************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090304/9a41198f/attachment.htm
