Dear Users,
I tried ferrimagnetic calculations with strontium ferrite SrM structures, but the spins always flip back to all up spins, even thought I set the case.inst for up and down spins. And I even tried fixed spin momnet (FSM). I checked the box for FSM for this. Should I change the number in the box? I did '0' and '1' but did not work. When I tried ferrimagnetic calculations with MnBi structures (MnBi is not ferri, but just tried) by changing only case.inst, the spins remained in the original dirrection. Please give me some idea why MnBi work but SrM structure does not work for ferrimagnetic calculations. All my best, Jihoon Park -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120909/ddd5bb01/attachment.htm>