[Pw_forum] Question about potential (pp tool)

[Lilia Boeri]

dear Stefano,

thanks a lot. Reading another message that you wrote me some time ago, 
I understand that when a psp is read from PWSCF one of the l components is 
assumed as "local" potential, while the other channels are considered 
non-local and obtained from the first by projection. Is this correct?

If this is only a numerical trick, the results should not depend on which 
channel I choose as "local", is this correct? 
thanks,
Lilia

On Wed, 4 Oct 2006, degironc wrote:

> It is the total local potential which inside the core region is meaningless.
> Only the region outside the core is "physical" .
> stefano
> 
> Lilia Boeri wrote:
> 
> > Dear PWSCF users,
> > 
> > I am sorry for the somehow stupid question, but the more I think about it
> > the more I get confused... The question is: what is exactly the "total"
> > potential which is given by pp.x when plot_num is set to 1?
> > The manual says:
> > 1=total potential V_bare+V_H + V_xc
> > 
> > my question is: what is V_bare? Is it the local potential or some sort of
> > total average potential?
> > 
> > Thanks a lot,
> > Lilia
> > 
> > 
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> > 
> 
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