Perhaps lapw5 can help. As is explained in the first paragraph of Sec. 8.13 of the usersguide, by editing lapw5.def you can plot the potential instead of the density. And therefore also a potential difference. There is a file for the total potential (case.vtotal). There is probably not such a thing as case.vcore. But that seems the only missing ingredient.
Stefaan Van: Wien [mailto:wien-boun...@zeus.theochem.tuwien.ac.at] Namens Laurence Marks Verzonden: woensdag 6 september 2017 5:41 Aan: A Mailing list for WIEN2k users <email@example.com> Onderwerp: [Wien] 1-D potential plots. A useful diagram with pseudopotential codes is the plane average (e.g. x,y) of the potential. Any suggestions about how to do the equivalent in Wien2k, e.g. plot/calculate V_tot-V_core (without writing code, which is not hard, but...)?
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html