[Wien] Extraction of atomic sphere potential

Laurence Marks laurence.marks at gmail.com
Fri Jun 16 16:50:38 CEST 2023


Please clarify. Do you mean the average (:VCOUL in case.scf0 for
potential), charge (use aim) or what?

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Fri, Jun 16, 2023, 17:41 Artem Tarasov via Wien <
wien at zeus.theochem.tuwien.ac.at> wrote:

> Dear wien2k users,
>
> I am looking for a way to extract atomic potential or electron density
> within a specific MT sphere. Have you ever faced a similar task? How
> could this be done?
>
>
> Best regards,
> Artem Tarasov
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