[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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