[Wien] LDA+U & External Field

[Pavel Novak]

>
> Alternatively it should be enough to include vorbup_ex in
> x lapw1 -up -orb
> but vorbup_U in
> x lapwso -up -orb
yes, that is clever, only if B_ext is in general direction, lapw1c should
be used.
>
> vorb_ex should be small enough to neglect coupling of spins ?
>
you are right, otherwise, if vorb_ex is large, nondiagonal vorbdnup must
also be considered

Pavel
>
>
>                                       P.Blaha
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> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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