[QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP)

GOKHAN HASEKI gokhanhaseki at trakya.edu.tr
Mon Apr 10 21:02:37 CEST 2023


Hi 

Dear Quantum Espresso users, I would like to passivate the surface of a III-V nanowire with pseudo-Hydrogen atoms. So I need Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP). I've searched many pessupotential libraries but haven't been able to find it. your help and suggestions will guide me in this regard. Kind regards.. 
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