Dear Giovanni Thanks so much I did the three different initial magnetizations corresponding to a non magnetic, a ferromagnetic and antiferromagnetic state, I found for ferromagnetic that :
total magnetization = 0.76 Bohr mag/cell absolute magnetization = 0.85 Bohr mag/cell But when I compared the energies I found : -87.25674493 Ry for FM(highest energy), -87.25674496 Ry for AFM and -87.25692574 Ry for NM (lowest energy). so How can I interpret this results? and my system is magnetic or not? Thanks so much Best Regards 2015-06-30 13:42 GMT+01:00 fadwa fad <fadwa.m...@gmail.com>: > Hi All, > > I used system that is not magnetic and I added some dopants to render it > magnetic. My question is How can I know that the system become magnetic or > not with pwscf? and which type of magnetization is it ? > Any help will be highly appreciated. > > Kind Regards > Fadwa > >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
