I think it depends on how you dope the system and the structure of the system. If you don't mind, could you pls share the input. -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" 2009/10/27 Q.J.Wang <wangqj1 at 126.com> > Dear all > When I use 'relax ' to optimize the geometry of a doped system ,but > the total magnetization of AFM equal to 1 or -1 Bohr mag/cell ,but not to 0 > .I think it should equal to 0. So I want to know whether the result credible > or not ? If not credible ,what I should do to improve it ? > > > -- > Best regards > > Q.J.Wang > > XiangTan University > > > ------------------------------ > ?????????????????3D?????????<http://allyes.nie.163.com/main/adfclick?db=afanie&bid=1260,614,23&cid=148,4,1&sid=1357&show=ignore&url=http://tx2.163.com/fab.html> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091027/64c338e4/attachment.htm
