You just treat them as 2 different types of atoms, say Co1 Co2 then use starting_magnetization(1)=3 starting_magnetization(2)=-3
2009/10/1 duchl06 <duchl06 at 163.com> > > > dear pwscf users, > > i found in some papers, they always say "To examine the stability of the > local magnetic state, we calculate the energy difference between the > diamagnetic(DM) antiferromagnetic (AFM) and ferromagnetic(FM) states." > i know that in the case of FM, I need to do only spin-polarized > calculation with start magntic moment, while for AF, I should define 2 > different atoms having equal but opposite sign magnetic moments. is this > right? > but i really donot know how to set up a cell for the diamagnetic > material, and how to set the start magnetic moment? > thank you! > > best regards! > > > graduate student: chen > xiaguanying university > > > ------------------------------ > ?????????????? <http://fanxian.163.com/fanxian/?keyfrom=163mail.footer> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091001/b7923560/attachment-0001.htm
