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

[Giuseppe Mattioli]

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
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E-mail: <giuseppe.mattioli at ism.cnr.it>