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

E. H. Smith ehs73 at cornell.edu
Tue Sep 1 00:33:49 CEST 2015


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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