[Wien] Output Coulomb potential

[Peter Blaha]

It is the coulomb potential due to ALL charges in your system.
This means the TOTAL electron density + nuclear charges.

Am 21.04.2014 16:11, schrieb huimei liu:
> Dear staff:
>      The purpose of my calculations is to get quantity coulomb potential
> of a certain system and I've already get the result.
>      But I'm confused with the component of coulomb potential, is the
> contribution of core electron also counted  in or just the valence
> electrons are calculated?
>      Thank you for your attention to this matter.
> Best regards
> Liu
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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Austria
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