[Pw_forum] LDA+U and spin orbit couple

ads5ads5 ads5ads5 at 163.com
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100501/5ec649b7/attachment.html>


More information about the users mailing list