[QE-users] Question regarding mixing of PBE and PBESOL PP

[Nicola Marzari]

On 04/05/2019 20:35, Yeon, Jejoon wrote:
> Thank you so much for answers and link for PPs!!


Dear All,


please also note that all the SSSP collection (efficiency,
and accuracy) has also been re-generated with PBEsol. It's not
been tested, but the pseudo parameters are the same of the
original pseudopotentials tested for the SSSP PBE libraries.

Here is the library:
https://www.materialscloud.org/sssp
(PBEsol is listed between "Acknowledgements" and "Old versions"
and here is a direct link:
https://www.materialscloud.org/discover/data/discover/sssp/downloads/tarball_PBEsol_1.1/SSSP_PBEsol_pseudos.tar.gz

			nicola



----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project