[Wien] cohesive energy

[Peter Blaha]

>  29.479739 29.479739 29.479739 90.000000 90.000000 90.000000
>
>        1    0.00000000   0.00000000   0.00000000
>
>                 1
>
> Fe         NPT=  781  R0=0.00010000 RMT=    2.2000   Z: 26.0

>
>    ERROR !!!!!!!!!!!!!!!
>
>  RMT(  1)=2.20000 AND RMT(  0)=0.00000

You are using an fairly old version. Have a look into the "update"
section.
The old nn did not work, when the first neghtbor was futher than 20 bohr
away.

Upgrade, or use a smaller Lattice parameter.

                                      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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