[Wien] LDA+U & External Field

[Peter Blaha]

>   I would like to ask if the WIEN2k code allow for
> LDA+U and an external field to be applied
> simultaneously.

No WIEN cannot do this. However, it should be fairly simple to implement.

Basically you should run x orb twice and add the two corresponding
case.vorbup/dn files.

In addition make sure that when running lapw0 you have the input for a
magnetic field in case.inorb.

Regards

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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