[Wien] What is changed in WIEN2k_8.1?

[Ricardo Faccio]

What you mean by "everything is wrong"?

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-----   Dr. 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: Hamid Abbaszadeh Peivasti 
  To: wien at zeus.theochem.tuwien.ac.at 
  Sent: Friday, February 15, 2008 3:54 PM
  Subject: [Wien] What is changed in WIEN2k_8.1?


  Dear WIEN2k developer;

  I used WIEN2k from version 5 to last version 8.1. I use LSDA+U for my calculation. In previous version, everything was good and we have reasonable results but in this new version, everything is wrong. What's the matter?

  I have check all parameter from structure, exchange function, exchange-correlation function, k-point, mixing method and factor, and other thing that you can imagine, I have read UG and mailing list.

  -- 
  MSc. H. Abbaszadeh
  Magnetic Research Laboratory (MRL)
  Sharif University of Technology (SUT)
  Tehran, IRAN
  Mobile: +98(914)4132419
  e-mail: abbaszadeh at physics.sharif.edu 


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