[Wien] Structure optimization

[Peter Blaha]

Activate "min_lapw" in   optimize.job.

Bo Qiu schrieb:
> Dear Users and Developlers,
>  
> Just want to ask whether if we can optimize the lattice constants and 
> the internal coordinates simultaneously using Wien2k? Thanks a lot!
>  
> Sincerely,
>  
> Bo
> 
> 
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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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