[QE-users] help: Pseudopotentials PAW_PBE

Franck Ngassamnyakam franck.ngassamnyakam at ipcms.unistra.fr
Fri Jun 15 20:00:05 CEST 2018


Hi, 

I am a new  user of Quantum Espresso user. I would like to remake
calculations already performed with VASP using the speudoptential
PAW_PBE and I am confused with the different speudopentiel on the site
https://www.quantum-espresso.org/pseudopotentials. for example for
nitrogen N I have two types "N.rel-pbe-n-kjpaw_psl.0.1.UPF" and
"N.pbe-n-kjpaw_psl.0.1.UPF" same for Mn, F, C, H, Cu, Co, that i want to
use. 

please which should I choose which would be equivalent to PAW_PBE
in VASP?.

thank you in advance

Franck O.

  
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