[Wien] How to setup the input files for a ferrimagnetic system

Yung-mau Nie NIE.Yungmau at nims.go.jp
Tue Oct 31 23:50:28 CET 2006


Dear WIEN2k users

I am a new user of WIEN2k. Now I am calculating an experimentally
deduced ferromagnetic system. According to the spin-polarized
calculation, the results were ferromagnetic. In fact, this is different
from the ferromagnetic result yielded from VASP. If the magnetic
configuration of the system indeed is ferromagnetic, the number of
spin-up is different from that of spin-down in the unit cell so that the
setup for the conventional AFM seems improper herein. I expect to get
valuable advices from the seniors in using WIEN2k. Thanks.

Y.M. Nie   




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