: Re: [Wien] Hubbard U and mBJ
Hi,
these are papers on mBJ+U:
http://dx.doi.org/10.1063/1.4798706
http://dx.doi.org/10.1063/1.4828864
Very often, the procedure is to adjust U until the
desired results are obtained.
F. Tran
On Fri, 1 May 2015, delamora wrote:
>
> Sorry for this question,
Hi,
these are papers on mBJ+U:
http://dx.doi.org/10.1063/1.4798706
http://dx.doi.org/10.1063/1.4828864
Very often, the procedure is to adjust U until the
desired results are obtained.
F. Tran
On Fri, 1 May 2015, delamora wrote:
Sorry for this question, it has been answered before;
Sorry for this question, it has been answered before;
- (2/22/2012)
So most likely mBJ + U gives the better solution, but probably the U should be
smaller than in LDA+U, because mBJ already shifts the f-states a bit.
but I am still confused, in GW and DMFT calculations the H
Dear P Blaha and F Tran,
I would like to ask if with the
modified Becke Johnson potential
one should use the Hubbard U?
Saludos
Pablo
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