[Wien] mBJ

[Fecher, Gerhard]

I asked the question already another time,
what is the physics behind using mBJ+U, or is the question about its use only just because it is implemented in the code ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von tran at theochem.tuwien.ac.at [tran at theochem.tuwien.ac.at]
Gesendet: Dienstag, 3. Mai 2016 10:21
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] mBJ

google:
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.045103
http://www.sciencedirect.com/science/article/pii/S0304885316302980
http://iopscience.iop.org/article/10.1209/0295-5075/93/47006/fulltext/

On Tuesday 2016-05-03 10:13, Komal Bapna wrote:

>Date: Tue, 3 May 2016 10:13:22
>From: Komal Bapna <komal.bapna at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] mBJ
>
>Dear Wien users,
>
>I am working on a half metallic system consisting of transition metal
>elements where there are DOS for one type of spins and gap at Ef for other
>spin. Is it a good idea to use mBJ+U for such systems over other potentials?
>
>Please suggest.
>
>--
>Komal
>
>
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html