Dear All, I am doing a test calculation for Ce3Te4, with LDA+U.? I finished the scf run with k-points grid of 9x9x9.? If I would like to run nscf calculation with higher kpt grid, I don't know if there is a special way to do it for LDA+U, or I can just run the nscf as normally done for plain DFT (LDA, PBE,...).?
Thank you very much, Vi University of Houston -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110818/c2186039/attachment.htm
