[Wien] GGA+U

Leonardo Pisani pisani at itp.uni-frankfurt.de
Mon Nov 22 11:11:44 CET 2004


Dear WIEN USERS,

I have a question about the LDA+U method.
In the LDA+U method the orbital dependent potential  is added to the LDA xc 
potential  and then the double-counting  formula is substructed.
Since the LDA part remains unvaried is it possible to consider a GGA xc 
potential   and add to it the orbital dependent potential  and thus have a 
GGA+U method ?


Thanks in advance,
Leonardo Pisani.




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