[Wien] How to select PRATT and BROYD in case.inm_st and case.orb?
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Tue Apr 3 16:53:36 CEST 2007
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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