r help 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,
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
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
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 kn