[Wien] [SPAM?] [SPAM?] AFM calculations of TM doped ZnS

[Stefaan Cottenier]

>I want to apply AFM on V.
>
>  
>
I'm getting confused. Do you mean by 'AFM' 'antiferromagnetic'? In that
case you need at least two V-impurities in your supercell. But in your
original mail you were talking about one impurity only. Or do you mean
'AMF' (in some wien versions there was a misprint in the case.inorb file
for this flavour of LDA+U)? In that case your question has nothing to do
with supercells. Please clarify, and try to explain once again what your
problem is.

Stefaan


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