I think you have to specify "lda_plus_u_kind=1" Paolo
On Tue, Sep 1, 2015 at 12:33 AM, E. H. Smith <eh...@cornell.edu> wrote: > Dear all, > > I have been trying to do computations on a system with both a Hubbard U > and spin-orbit coupling. However, when I set > > lda_plus_u=.TRUE. > > Hubbard_U(2)=4.5, > > lspinorb=.true., > > noncolin=.true., > > > I get the following error: > > from vhpsi : error # 1 > > nstart<>counter > > I found an old thread on the forum from 2010 describing the same problem. > > http://qe-forge.org/pipermail/pw_forum/2010-May/091318.html > > At the time, LDA+U+spin orbit coupling was not supported. Is this still > the case? > > Thanks in advance, > Eva Smith > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
