[Wien] Regarding to Murnaghan Equation in volume optimization

[Peter Blaha]

The exact expression is even printed in the outputeos file!
E=B*V/BP*(1/(BP-1)*(V0/V)**BP +1)
For a reference see the UG.
> 
> I am a new one in WIEN2k. I am working on the volume
> optimization now. The optimizer provided by WIEN2k
> does work for me. But I tried to figure out how the
> program get the parameters such B0, V0, Bp etc from
> the Etot~Volume. Any one know the Murnaghan Equation
> used by this software. Thanks.
> 
> Daniel
> 
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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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