[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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 



More information about the Wien mailing list