[QE-users] Fwd: Hydrogen atom pseudopotential files with q=1.5e and q=0.75e (PBE, USPP)

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Mar 8 09:13:17 CET 2023


-------- Forwarded Message --------
Subject: 	Hydrogen atom pseudopotential files with q=1.5e and q=0.75e 
(PBE, USPP)
Date: 	Tue, 7 Mar 2023 19:58:51 +0300
From: 	gökhan haseki <gokhanhaseki at gmail.com>
To: 	users-owner at lists.quantum-espresso.org


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=1.5e 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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