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

hossien rahnama h_rahnamay at yahoo.com
Tue Apr 3 17:26:36 CEST 2007


Dear stefaan,
  Thank you for your immediately reply .I am sorry for wrong writing ,case.orb instead of case.inorb.
  With best wishes,
  H.A.Rahnama


Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.be> wrote:  
Never touch the line with pratt in case.orb (I think the usersguide 
mentions this explicitely -- did not check)

Stefaan


> 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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