[Wien] magnetic calculation
li wf
liwanf at hotmail.com
Thu Dec 8 12:23:21 CET 2005
Dear wien users,
i want to calculate the electronic structure and magnetism of a
compounds whose magnetism is still unknown. i have a puzzle that if i take
a spin polarized calculation and found that it is spin-polarized, can i say
that this compounds is ferromagnetism? should i also take
antiferromagnetism calculation and them compare the total energy of the
two? if a compound is not ferromagnetism, will the spin polarized
calculation always give a non-magnetism result?
thank you very much.
best regards,
wane
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