[Wien] molecule cluster and liquid droplet

[Peter Blaha]

WIEN2k is NOT made for clusters or liquids, but for crystalline solids.

Of course, using a supercell approach (and large computational ressources !!!)
everything can be done ....


Am 27.12.2011 12:19, schrieb saed alazar:
> Dear all,
>
> Is it possible to use wien2k to modeling the cluster of molecules or liquid droplet matter.
> If yes How I can modeling them.
>
> Thanks,
> Said Azar
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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