Hello, Is DFT+U (formerly known as LDA+U) now expanded to apply to GGA pseudopotentials? I have tried this flag with PBE functionals and it helps convergence. But is this combination acceptable?
-- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
