[Wien] Running LDA+U for non-spinpolarized case

[Peter Blaha]

run_lapw -orb     was NEVER possible (as far as I remember).

You must use a spin-polarized setup and use
    runsp_c_lapw -orb

Yurko Natanzon schrieb:
> Dear Wien2k users,
> My question is how to run LDA+U calculation for non-spinpolarized
> case? In the previous versions it was possible using the command
> run_lapw -orb
> 
> But for the new version (WIEN2k_08.2 (Release 21/4/2008)) I get an error:
> 
> $ run_lapw -orb
> ERROR: option -orb does not exist !
> 
> Is it correct, that I should use runsp_c_lapw -orb instead (running
> spin-polarized with magnetic moments fixed to zero) or are there
> another options of doing it?
> 
> Why has the option -orb been removed from run_lapw?
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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