Thank you so much Prof. Matteo, in fact I also wanted to do that myself but I was not able to get the starting point but know I believe I can do that...
On Fri, Jul 30, 2010 at 1:59 PM, Matteo Cococcioni <matteo at umn.edu> wrote: > 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.org and 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 >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey Y6927262,5th Year dual degree student, Department of Chemical Engineering, IIT KANPUR, UP, INDIA +919235721300 ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100730/3baa2bb4/attachment.htm