[Pw_forum] definition of bare potential

[pourya]

Dear Quantum Espresso Users

I have the same question as the previous uestion email

I have a question regarding the definition of bare ionic potential,
In the PP.x when we calculate the bare potential, is it just the contribution of columbic potential of positively charged ion centers ?
or core electrons that are included in the  psudopotential also have contribution to it?
What is exact definition of bare potential then?

I will appreciate you if someone explains these questions.

Best Regard,

Pourya

Tohoku University, Japan

On 06/01/2015 05:19 AM, Meysam Pazoki wrote:
> Dear Espresso Users,
>
> I have a question regarding the definition of bare ionic potential,
> In the PP.x when we calculate the bare potential, is it just the contribution of columbic potential of positively charged ion centers ?
> or core electrons that are included in the  psudopotential also have contribution to it?
> What is exact definition of bare potential then?
>
> Thanks a lot in advance
> My Best Regards
> Meysam
>
>
>
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