Dear You can apply DFT+U within WIEN2k. Please see the userguide, section 7.2 ORB (orbital potentials). Good luck. Ricardo > Hello Dear WIEN2k users; > I'm using WIEN2k_09, and I want to apply LSDA+U in my calculation. But I > don't know how I can do it and where I should put the Hubbard potential. > Please consult me. > Thanks > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
-- ------------------------------------------------- Dr. Ricardo Faccio Prof. Adjunto de F?sica Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA Facultad de Qu?mica, Universidad de la Rep?blica Av. Gral. Flores 2124, C.C. 1157 C.P. 11800, Montevideo, Uruguay. E-mail: rfaccio at fq.edu.uy Phone: 598 2 924 98 59 598 2 929 06 48 Fax: 598 2 9241906 Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm