small (?) --> reassuring... :-D
G.
Paolo Giannozzi <p.gianno...@gmail.com> ha scritto:
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
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E-mail: <giuseppe.matti...@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
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>
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