[Wien] strongly correlated electron systems

[Ricardo Faccio]

Dear Soran
    Concerning Wien2k and LDA+U
http://www.wien2k.at/reg_user/textbooks/orbital_potentials.ps
http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf
I guess the best choose is to read this review about the subject:
Anisimov and F. Aryasetiawan and A.I. Lichtenstein, J.Phys.: Condens. Matter 9 (1997) 767
Best Regards 
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 
  To: wien at zeus.theochem.tuwien.ac.at 
  Sent: Monday, February 26, 2007 5:58 AM
  Subject: Re: [Wien] strongly correlated electron systems


  Dear Ricardo Faccio
  With many thanks for your guidance;
  but in LDA+U approximation method, the system is considered only with its potential energy(exchange energy) but in strongly correlated electron system the competition between two models of energy(kinetic and potential) is occurred. 
  In section 4.5.6 this problem is been solved but with any references!
  Could you send me the references for this issue?
  best regards

  Message: 22
  > Date: Tue, 20 Feb 2007 16:28:02 +0330
  > From: "soran nabavi" < soran.nabavi at gmail.com>
  > Subject: [Wien] strong correlated electron
  > To: "wien at zeus.theochem.tuwien.ac.at "
  >        <wien at zeus.theochem.tuwien.ac.at>
  > Message-ID:
  >        < 137e4d610702200458o222f32fcoa520ad31ba77f480 at mail.gmail.com>
  > Content-Type: text/plain; charset=ISO-8859-1; format=flowed
  > 
  > 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
  > 
  > 
  > ------------------------------
  > 
  > Message: 23
  > Date: Tue, 20 Feb 2007 11:31:23 -0300
  > From: "Ricardo Faccio" < rfaccio at fq.edu.uy>
  > Subject: Re: [Wien] strong correlated electron
  > To: "A Mailing list for WIEN2k users"
  >        < wien at zeus.theochem.tuwien.ac.at>
  > Message-ID: <000c01c754fb$cf4b1fc0$074228c8 at RICARDOF>
  > Content-Type: text/plain; format=flowed; charset="iso-8859-1";
  >        reply-type=original 
  > 
  > 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
  > 






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