[QE-users] GGA pseudopotential for deuterium
Inna Nangoi
inna.nangoi at mmk.su.se
Tue Sep 8 11:54:51 CEST 2020
Thank you everybody. I just need the confirmation that would be fine to use it (H pseudpotential) as it is.
Best
Inna
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Inna Nangoi <inna.nangoi at mmk.su.se>
Sent: 08 September 2020 11:51:27
To: Thomas Brumme; users at lists.quantum-espresso.org
Subject: Re: [QE-users] GGA pseudopotential for deuterium
Hi Thomas, I think so. Then, I can just use the hydrogen pseudopotential as it is?
________________________________
From: Thomas Brumme <thomas.brumme at tu-dresden.de>
Sent: 08 September 2020 11:44:06
To: users at lists.quantum-espresso.org
Cc: Inna Nangoi
Subject: AW: GGA pseudopotential for deuterium
Dear Inna,
from the electronic point of view deuterium is not different from hydrogen from what I understand, is it?
Kind regards
Thomas Brumme
________________________________
Von: users <users-bounces at lists.quantum-espresso.org> im Auftrag von Inna Nangoi <inna.nangoi at mmk.su.se>
Gesendet: Dienstag, 8. September 2020 11:37
An: users at lists.quantum-espresso.org
Betreff: [QE-users] GGA pseudopotential for deuterium
Hi,
Does any one knows where I can find pseudopotential for deuterium?
Thank you very much,
Regads,
Dra. Inna Nangoi
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