[Wien] magnetic calculation
li wf
liwanf at hotmail.com
Thu Dec 8 15:08:14 CET 2005
thank you very much for your help. but the magnetic structure of the
compound are not determined if s-o interaction is not included. so if i
performed a spin-polarized calculation, a non-spin-polarized calculation or
paramagnetic calculation and an antiferromagnetic calculation, and then
compare their total energy. can i determine the ground state of this
compounds disregarding the spin configuration?
thank you.
best regards
wane
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