There should be something called constrained_magnetization and fixed_magnetization in the manual. I haven't used them so I have no further comment. -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Mon, Sep 6, 2010 at 5:02 AM, <nazari at iasbs.ac.ir> wrote: > Dear All, > > In Vasp there is two options for doing spin polarized computations : ISPIN=2 > which is done without any restriction. And ISPIN=2 and NUPDOWAN=2 or 4. In > the later casse? the spin polarized caculation is done with imposing > restriction on the number of alpha and beta electrons. I wish two konw what > are the equivalent cases?for spin polarized calculation in ?PWSCF ? > > Regards > > Fariba Nazari > > IASBS > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
