[QE-developers] PBEsol-paw pps

MANISHA BANSAL bansalmanisha20 at iisertvm.ac.in
Mon Jan 22 15:25:51 CET 2024


Dear sir/mam,

I am a 4th year PhD student in IISER Trivandrum, Kerala, India.

I am looking for PBEsol-PAW pseudopotential files. I couldn't find La and
Ru. I checked other websites other than Quantum espresso too.

Could you please provide me with them if you have them? I am in the middle
of my project. I used PBE-PAW but for better accuracy for solids, I used
PBesol functional but USPP pps. It gave me reduced values of
polarisation than  PBE-PAW. I am sure PBesol-PAW would work fine.

Looking forward to hearing from you.

Kind regards,
Manisha Bansal
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