[Wien] RE How to do the different magnetic calculation for a material (for example:NiO)

Abed Reg jazairdz at gmail.com
Thu Dec 25 14:57:00 CET 2014


Thanks Lyudmila
<http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Lyudmila+Dobysheva%22>
for your reply

I agree with you "
in text they call it nonmagnetic, and only in Figs they write para."

As Dr Blaha said, non magnetic phase is not the paramagnetic one.

Now I want to know how to determine the dimension of the supercell for the
four types of antiferromagnetism?

Best wishes

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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