[Wien] RE How to do the different magnetic calculation for a material (for example:NiO)
Lyudmila Dobysheva
lyuka17 at mail.ru
Thu Dec 25 09:40:35 CET 2014
On 24.12.2014 21:55, Abed Reg wrote:
> 2/ I found in some documentation that they have done a paramagnetic
> calculation with wien2k code like what's mentionned below:
I am sure that they had done nonmagnetic calculations with local atomic
M=0, at least in text they call it nonmagnetic, and only in Figs they
write para.
Best wishes
Lyudmila Dobysheva
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