[Wien] LDA+U & External Field

[Peter Blaha]

> I realized, however, that this is still not enough - before running
> x lapwso -up -orb
>
> it is necessary to sum vorbup_ex and vorbup_U (similarly dn) and copy the
> sum to smco5.vorbup. To this end a simple program is to be written. I am

Alternatively it should be enough to include vorbup_ex in
x lapw1 -up -orb
but vorbup_U in
x lapwso -up -orb

vorb_ex should be small enough to neglect coupling of spins ?



                                      P.Blaha
--------------------------------------------------------------------------
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/
--------------------------------------------------------------------------