[Pw_forum] about potentials given by PP
Lorenzo Paulatto
paulatto at sissa.it
Mon Oct 26 20:17:55 CET 2009
On Mon, October 26, 2009 19:00, Eduardo Ariel Menendez Proupin wrote:
> Doubt one: "local ionic potential" = V_bare ?
yes
> Doubt two: " the electric field potential" = V_H?
yes, but it will include also the sawtooth potential if you are using it
(tefield=.true., dipole corrections)
> Doubt three "Does V_bare" includes only the local part of the
> pseudopotentials?
yes, the projectors are non-local operators that cannot be represented as
a 3D scalar field.
> Thank you
you're welcome
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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