Dear Mohnish I would recommend you to figure this out yourself first. Then, if you want to verify your results you can go on quantum-espresso.organd look for the tutorials for the school held in Santa Barbara in 2009. you will find an example about NiO (and maybe FeO, I don't remember) that are materials with the same structure and AF order of MnO.
Matteo On Fri, Jul 30, 2010 at 1:59 AM, mohnish pandey <mohnish.iitk at gmail.com>wrote: > Dear users, > I want to do calculation for MnO antiferromagnetic > system. I want to know how to start the calculation for this > antiferromagnetic system, i.e. should the magnetization be conserved to be > in antiferromagnetic state? And how to build the cell for this rocksalt > structure so that structure is antiferromagnetic. > > -- > Regards, > MOHNISH, > ----------------------------------------------------------------- > Mohnish Pandey > Y6927262,5th Year dual degree student, > Department of Chemical Engineering, > IIT KANPUR, UP, INDIA > +919235721300 > ----------------------------------------------------------------- > > _______________________________________________ > 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/20100730/7442eba2/attachment-0001.htm
