[Wien] optimization

[Peter Blaha]

Keep it constant.

hebblg at sina.com schrieb:
>  /Dear Wien users and developers!/
> 
> /   /when I optimize volume, should I keep GMAX or IFFT-parameter as a 
> constant?
> 
> different choice will give different result!
> 
>                                                                             
> thank you!
> 
> 
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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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