[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
>
>
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_forum
>
>
More information about the Pw_forum
mailing list