Well, it's not that NLCC is not supported with hybrid functionals: the code issues a warning and goes on computing, but this introduces a small (?) inconsistency
Paolo On Mon, Jan 7, 2019 at 11:40 AM Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> wrote: > > Dear Chris > Thank you for the update, but I must add a comment. I've seen that the > abinit folder contains UPF pseudos (good) built with nonlinear core > correction; this is also good if you perform GGA calculations, but it > is not good at all in the case of EXX calculations, which, AFAIK, do > not support NLCC. I'm going to test them to see if something has > changed in the latest version... > HTH > Giuseppe > > Christoph Wolf <wolf.christoph@qns.science> ha scritto: > > > short comment: Don Hamann recommended me to use the newer input files > from > > abinit for QE pseudos as well as the SG15 inputs are not recommended for > > the new oncvpsp versions > > > > https://github.com/pipidog/ONCVPSP > > > > > > HTH! > > Chris > > > > -- > > Postdoctoral Researcher > > Center for Quantum Nanoscience, Institute for Basic Science > > Ewha Womans University, Seoul, South Korea > > > > 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: <giuseppe.matti...@ism.cnr.it> > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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