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

[Lorenzo Paulatto]

If I remember correctly, you can find this kind of pseudopotential in the
PAW_HIGH set of the pslibrary https://github.com/dalcorso/pslibrary

Again, if I remember correctly, it takes more that 100 Ry to converge it,
despite being PAW, but it works very well

-- 
Lorenzo Paulatto

On Sun, Feb 6, 2022, 11:08 Omer Mutasim via users <
users at lists.quantum-espresso.org> wrote:

> Dear All
> Greetings
> I 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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