[QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)

[Paolo Giannozzi]

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.mattioli at 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 at 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.mattioli at ism.cnr.it>
>
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-- 
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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