[Wien] determining U and J in LDA+U
Ali Afshar
afshar_130 at yahoo.com
Sat Dec 18 05:25:04 CET 2004
Dear wien users,
Hello.I want to apply the LDA+U method to a number of lanthanide metallic compounds. Could somebody please write me how I can choose (or calculate) the suitable values of U and J for each compound? Thank you very much.
Ali Afshar.
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