Dear all,I am trying to generate PAW pseudopotentials with the ld1.x code. However, I am not sure what kind of information I can get by plotting and analysing the chi and beta functions. How can I use these plots to improve the pp generation, e.g. is there a "ideal" way these functions should look like?
Best regards, Malte Sachs -- Malte Sachs Anorganische Chemie, Fluorchemie Philipps-Universität Marburg Hans-Meerwein-Straße 4 35032 Marburg (Paketpost: 35043 Marburg) Tel.: +49 (0)6421 28 - 25 68 0 http://www.uni-marburg.de/fb15/ag-kraus/
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