[Wien] mBJ

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Tue May 3 10:21:08 CEST 2016


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
>
>


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