[QE-users] About the ONCVPSP pseudopotential suitable for Quantum ESPRESSO.

Paolo Giannozzi p.giannozzi at gmail.com
Tue Apr 28 09:50:44 CEST 2020


On Tue, Apr 28, 2020 at 4:44 AM Hongyi Zhao <hongyi.zhao at gmail.com> wrote:

Based on the above description, the sg15_oncv supplied here
> http://www.quantum-simulation.org/potentials/sg15_oncv/, has not the
> out-of-the-box feature for Quantum ESPRESSO.
>
> On the other hand, the https://github.com/pipidog/ONCVPSP itself was
> recently  updated 2017, so it maybe outdated.
>

If you go into the sg15/ subdirectory of the above link, there are *.upf
files that look perfectly fine to me

Paolo
-- 
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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