[Wien] wien2k can handle "LDA+U" + Zeeman?

[Peter Blaha]

No.

You would need to "hack" the runsp script and run x orb twice with different input/output and
then add the resulting case.vorbup/dn files.

Am 02.11.2011 10:51, schrieb César de la Fuente:
> Dear all,
>
> Can wien2k do at the same time "LDA+U" and "Interaction with an external
> magnetic field" calculations (nmod= 1 + 2)?. I guess that it is not possible
> but if so, anyone knows how to sort out this problem?
>
> Sincerely,
>
> Dr. César de la Fuente.
> Depto. de Física de la Materia Condensada.
> Facultad de Ciencias, C/Pedro Cerbuna 6, 50009 -Zaragoza, ó, Centro
> Politécnico Superior, C/María de Luna 3, 50018-Zaragoza.
> Universidad de Zaragoza.
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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