[Pw_forum] LDA+U+spin-orbit coupling?

[Paolo Giannozzi]

I think you have to specify "lda_plus_u_kind=1"

Paolo

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
>
> 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
>
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-- 
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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