[Wien] GGA+SO for AFM NiO

Rocquefelte Xavier.Rocquefelte at cnrs-imn.fr
Sat Feb 4 14:04:09 CET 2012


It means that the "AFM" option is not supported by the SO calculation.

After the AFM calculation you should do a spin-polarized calculation 
(without the option AFM).
Then after you will be able to do a "SO" calculation.

Best Regards

Xavier



On 02/04/2012 01:55 PM, bruce.tian wrote:
> AFM calculations
u sho


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