Dear Raghani, Unfortunately, I was not in the workshop and I don't know what kind of reasons were provided for this. Nevertheless, I did a lot of calculations for magnetic systems and results were good.
So, you should add the next lines into your input file: lsda=.true., starting_magnetization(1)=0.9, where the index means the magnetization for a given sort of atoms. Regards, Eyvaz. Theoretical Physics Department Moscow State Institute of Steel and Alloys --- Raghani Pushpa <pushpa at jncasr.ac.in> wrote: > > Dear all, > Can we do the calculations on magnetic systems by > using pwscf? I heard in > the workshop that pwscf can not handle the magnetic > systems but in the > code there is the provision for lsda calculations! > > Thanks, > Pushpa > -- > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum __________________________________________________ Do you Yahoo!? Yahoo! Mail Plus - Powerful. Affordable. Sign up now. http://mailplus.yahoo.com
