[Wien] AFM LaMnO3

Natalia Perkins Natalia.Perkins at lnf.infn.it
Thu Oct 16 13:05:12 CEST 2003


Dear all,
I still have problems with afm calculations for AFM phase of LaMnO3.
I have some questions:
1.What is the main difference in the antiferromagnetic and spin-polarized
calculations? Do I understand correctly that afm simply economizes some
time by doing calculations only for spinup  and then copying them
according to the given in case.inst  "afm rules"? 
2. Should I flip spins in case.inst if now I want to try  only
spin-polarized calculations?

Thanks for a help,

Yours, Natalia Perkins

 






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