[Wien] How to select PRATT and BROYD in case.inm_st and case.orb?

hossien rahnama h_rahnamay at yahoo.com
Tue Apr 3 16:48:25 CEST 2007


Dear wien2k users,
  Thank you very much for your attentions and appreciate. I have used LDA+U approximation for take of calculations. I don't know whether PRATT and BROYD commands also mixing factor are the same or different in case.inm_st and case.orb. In other words, when I select BROYD with 0.1 mixing factor in case.inm_st, do I allow changing PRATT to BROYD with 0.1 mixing factor in case.orb.
  Sincerely yours,
  H.A.Rahnama  

 
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