[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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