[Pw_forum] definition of bare potential

[Paolo Giannozzi]

For PP/Doc/INPUT_PW.* :
                   2  = local ionic potential V_bare
So V_bare = local part of the ionic pseudopotential

Paolo


On Wed, Jun 3, 2015 at 5:05 AM, pourya <pourya at flex.phys.tohoku.ac.jp>
wrote:

> 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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>
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