[Pw_forum] LDA+U and spin orbit couple
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Sat May 1 06:06:42 CEST 2010
Dear all:
Eerything is OK when LDA+U and spin orbit couple is added separately.
But when LDA+U and spin orbit couple is both used.
It runs with error:
%%%%%%%%%%%%%%%%\
from vhpsi : error # 1
nstart<>counter
%%%%%%%%%%%%%%%%%
it seems that LDAU can not work with SO coupling. Is that true?
Thanks
Fang Sun
East China Normal University
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