[Wien] strong correlated electron
Ricardo Faccio
rfaccio at fq.edu.uy
Tue Feb 20 15:31:23 CET 2007
Dear Soran
Wien works with the LDA+U scheme, for studying strong correlated
electrons. Please read the section 4.5.6 of the user guide for more details,
there is described how to use the orbital potentials (in particular the -orb
options).
Good luck
Ricardo
-------------------------------------------------------------------------
----- Ing. Quím. Ricardo Faccio
Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
Facultad de Química, Universidad de la República
Av. Gral. Flores 2124, C.C. 1157
C.P. 11800, Montevideo, Uruguay.
E-mail: rfaccio at fq.edu.uy
Phone: 598 2 9241860 Int. 109
598 2 9290705
Fax: 598 2 9241906
Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
----- Original Message -----
From: "soran nabavi" <soran.nabavi at gmail.com>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, February 20, 2007 9:58 AM
Subject: [Wien] strong correlated electron
> Dear users
> I have question for using the Wien2k code
> how we can use this code for "Highly correlated electron systems"?
> Is it possible?
> best regards
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> Wien at zeus.theochem.tuwien.ac.at
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>
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