[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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