[Pw_forum] LDA+U

Paolo Giannozzi giannozz at democritos.it
Mon Dec 15 18:50:32 CET 2008


afsaneh daemi wrote:

> I hear that LDA will not be able to interpret systems containing  
> Van der Waals interactions. Should it be considered using the  
> LDA+U for these systems?

definitely not. LDA+U is for strongly correlated systems.

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



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