Dear Peng, I'm not expert of the non collinear implementation but I would expect the U to not depend strongly on the orientation of localized magnetic moments. So, at first approximation, you could use the one you compute the usual way, from collinear magnetism.
HTH, Matteo On Mon, Sep 24, 2012 at 8:53 PM, Peng Chen <pchen at ion.chem.utk.edu> wrote: > Dear All, > > It looks like the noncollinear calculation only supports lda_plus_u_kind=1 > currently, and it can not be used with Hubbard_alpha to calculate U. So is > there a way to calculate U for lda_plus_u_kind=1 or will noncollinear > calculation support lda_plus_u_kind=0 in the near future? > > -- > Best Regards. > Peng > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Matteo Cococcioni Department of Chemical Engineering and Materials Science, University of Minnesota 421 Washington Av. SE Minneapolis, MN 55455 Tel. +1 612 624 9056 Fax +1 612 626 7246
