Dear Eleftheria Definitely yes, and since many years! This is likely the main reason for the name update from LDA+U to DFT+U, AFAIK. HTH Giuseppe
Quoting Eleftheria Gkogkosi <[email protected]>: > 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 GIUSEPPE MATTIOLI CNR - ISTITUTO DI STRUTTURA DELLA MATERIA Via Salaria Km 29,300 - C.P. 10 I-00015 - Monterotondo Scalo (RM) Mob (*preferred*) +39 373 7305625 Tel + 39 06 90672342 - Fax +39 06 90672316 E-mail: <[email protected]> _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
