[QE-users] Ce Pseudopotential (PAW) that contain 4f valence state

Omer Mutasim omermutasim at ymail.com
Sun Feb 6 09:51:20 CET 2022


Dear AllGreetingsI want to do DFT+U calculation for CeO2 surface using the PAW (GGA-PBE) used in this article ( https://pubs.acs.org/doi/10.1021/acscatal.1c01604).But i couldn't find the PAW PP file for Ce  that considers 4f valence electrons.All the PP files in QE page doesn't contain 4f states, so where can i find it ?Can anyone please provide me with this Ce Pseudopotential file ?Regards
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