[Pw_forum] LDA+U+spin-orbit coupling?
p.giannozzi at gmail.com
Tue Sep 1 08:08:41 CEST 2015
I think you have to specify "lda_plus_u_kind=1"
On Tue, Sep 1, 2015 at 12:33 AM, E. H. Smith <ehs73 at 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
> I get the following error:
> from vhpsi : error # 1
> I found an old thread on the forum from 2010 describing the same problem.
> 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 at pwscf.org
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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