[Q-e-developers] [Fwd: [Pw_forum] LDA+U and spin orbit couple]

[Paolo Giannozzi]

Is that true? P.

-------- Original Message --------
Subject: 	[Pw_forum] LDA+U and spin orbit couple
Date: 	Sat, 1 May 2010 12:06:42 +0800 (CST)
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Reply-To: 	PWSCF Forum <pw_forum at pwscf.org>
To: 	pw_forum at pwscf.org


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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-- 
Paolo Giannozzi, Democritos and University of Udine, Italy
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