Dear DFT+U experts,I am testing the hp.x code of the QE 6.4.1 version by calculating the Hubbard-U of simple binary actinides compounds in a "self-consistent" way. Within the same crystal structure and the same counter ions I find a perfect linear dependency of the U on the core charge Z of the actinide ions. I am a little bit surprised about this result. However, I am not sure if this is surprising at all. I would thankful for any help or hints regarding this issue.
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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