[Wien] GGA+U

[Stefaan Cottenier]

> there in fact is a paper of Savrasov and Kotliar, PRL 84,3670 (2000) in
> which GGA+U is used. GGA+U is also used in one of A.S.Shick papers (I do
> not remember the reference) and we submited recently two papers using
> GGA+U.

Hello Pavel,

Could you tell us wether there is a common reason in all these papers to use
GGA+U rather than LDA+U? Do they deal with materials which are significantly
better described by GGA than by LDA, such that one wants to start with the U
from this better description? (and if true, couldn't it be that LDA+'small
U' is more or less equivalent to GGA also for these materials, such that in
the end it doesn't really matter whether LDA/GGA+U is used)

Stefaan