Dear all, I try to do a calculation of antiferromagnetic FeRh, by changing different parameters (point_k, smearing, ECUT ...),? i can find the expected value of the total magnetic momentwich is not the case forthe magnetic moment of each atom.Is there a way to get the magnetic moment of each atom in the input cell??
thinks ------------------------------------------------------------------------------------------------------------------- Sakhraoui Taoufik Ph.D student Faculty of Sciences of Monastir Department of Physics L.M.C.N Monastir, Tunisia ------------------------------------------------------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121011/062389c2/attachment.html
