[Wien] runsp_c_lapw can do the paramagnetic calculation with LDA+U?

[Peter Blaha]

No local moments anymore!

runsp_c calculates only spin-up vectors and copies them to spin-dn. Thus
spin up and dn are exactly the same and any spin-moment is gone.

kongshi schrieb:
> Dear user:
>     I use the runsp_c_lapw program when I want to have the calculation 
> of paramagnetic system with LDA+U. But I'm puzzled with the runsp_c_lapw 
> treat the system as Pauli paramagnetic state or  paramagnetic state with 
> local moment.
>     Thank you!
>  
>  
> kongshi
>  
>  
>  
> 
> 
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                                      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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