[Wien] Potential Delta-sol

[Peter Blaha]

In principle, yes. But you have to apply your own correction for charged cells.

And in additon: I'd use the mBJ-potential. This is much less effort, more general
and accurate.

Am 19.11.2010 15:48, schrieb Amilcar Meneses Viveros:
>
> Hi there.
>
> For the potential (Delta-sol) in the reference
>
> Phys. Rev. Lett. 105, 196403
> (http://prl.aps.org/abstract/PRL/v105/i19/e196403)
>
> Is possible use this potential in Wien2k?
>
> Regards
> Amilcar
>
>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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