[Pw_forum] Question about potential (pp tool)

degironc degironc at sissa.it
Wed Oct 4 16:18:23 CEST 2006


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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