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

and suggestions will guide me in this regard. Kind regards.. - İletilen Mesaj - Kimden: GOKHAN HASEKI Kime: users@lists.quantum-espresso.org Gönderilenler: Mon, 10 Apr 2023 22:02:37 +0300 (TRT) Konu: [QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) Hi

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

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

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

Hello Dominik We are very pleased for your reply and so thanks so much for your helps. I will try your suggestion and after calculation, I will give information to you. Have a nice works - Orijinal Mesaj - Kimden: "Dominik Voigt" Kime: "Quantum ESPRESSO users Forum" Gönderilenler: 8

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

Thank you Dear Nicola - Orijinal Mesaj - Kimden: "Nicola Marzari via users" Kime: users@lists.quantum-espresso.org Gönderilenler: 8 Mart Çarşamba 2023 20:32:46 Konu: Re: [QE-users] Fwd: Hydrogen atom pseudopotential files with q=1.5e and q=0.75e (PBE, USPP) Dear Gökhan, as far as I