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-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von t...@theochem.tuwien.ac.at [t...@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.ba...@gmail.com> >Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> >To: wien@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@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@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