[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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