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

Abed Reg jazairdz at gmail.com
Tue Dec 23 16:55:18 CET 2014


I want to do a magnetic calculation for the NiO in NaCl structure.
I know how to do a ferromagnetic calculation and I know that the
antiferromagnetic calculation need to use supercell but how to do that?
I want to do a paramagnetic calculation but I don't know how to do it and
as dr Blaha said that a paramagnetic calculation is not a non magnetic one.
I want also to do a diamagnetic calculation if it's possible.

Thanks

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