[Pw_forum] charge analysis

[Jure Varlec]

On Mon, 27 Jul 2015 06:54:08 -0400
Axel Kohlmeyer <akohlmey at gmail.com> wrote:

> please note that this procedure is missing the contributions from the
> core electrons of the pseudopotentials and thus the results may be off
> or completely bogus.

I don't understand why this should happen. Bader's method looks for
surfaces of minimal charge density between atoms. What do core
electrons have to do with this? Please clarify.

Thank you,

Jure