[Wien] How to apply LSDA+U

Ricardo Faccio rfaccio at fq.edu.uy
Wed Mar 16 02:30:08 CET 2011


Dear
You can apply DFT+U within WIEN2k. Please see the userguide, section 7.2
ORB (orbital potentials).
Good luck.
Ricardo
> Hello Dear WIEN2k users;
> I'm using WIEN2k_09, and I want to apply LSDA+U in my calculation. But I
> don't know how I can do it and where I should put the Hubbard potential.
> Please consult me.
> Thanks
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>


-- 
-------------------------------------------------
  Dr. Ricardo Faccio
  Prof. Adjunto de Física
  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 2 924 98 59
         598 2 929 06 48
  Fax:   598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm




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