Dear wien2k users,
If we use exchange correlation potential GGA and
modify case.inorb in such a way that nmod=1 and nsic=1 (SIC method, Anisimov
et al) then what we are using:
*GGA+U or self interaction corrected GGA?...or they are actually different
terminology of the
There are several versions (at least six) of the LDA/GGA+U method
and one of them is SIC, which is also called fully localized limit (FLL)
or atomic limit in the literature.
The SIC method used in Szotek et al. [PRB 74, 174431 (2006)] is not a
LDA/GGA+U method. This is the method of Perdew and
Sir,
Thank you very much for your quick response and suggestion.
with best regards,
On Fri, Oct 14, 2011 at 12:48 PM, tran at theochem.tuwien.ac.at wrote:
There are several versions (at least six) of the LDA/GGA+U method
and one of them is SIC, which is also called fully localized limit
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