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@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 > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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