[Wien] AFM NiO wrong magnetic moment

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Nov 20 14:15:04 CET 2013


You calculated Ni_2 O ;  and not   Ni O = Ni_2 O_2

On 11/20/2013 02:10 PM, Marcus Ekholm wrote:
>
> More specifically:

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                                       P.Blaha
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