[Wien] LDA+U forces

L. D. Marks L-marks at northwestern.edu
Thu Apr 14 13:40:08 CEST 2005


I know that LDA+U forces are not currently implimented. I would be
interested to know which parts, i.e. forces on the atom(s) with a U or...?

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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
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