[QE-users] Where to get HGH-NLCC pseudopotential?

[Pietro Davide Delugas]

Hello

They are also at this link:

http://pseudopotentials.quantum-espresso.org/legacy_tables/hartwigesen-goedecker-hutter-pp

Pietro

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Nicola Marzari via users <users at lists.quantum-espresso.org>
Sent: Tuesday, October 22, 2024 08:23
To: yike.huang <yike.huang at aliyun.com>; Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>; Yu Jusong <jusong.yu at psi.ch>; Pizzi Giovanni <giovanni.pizzi at psi.ch>; Krack Matthias <matthias.krack at psi.ch>
Subject: Re: [QE-users] Where to get HGH-NLCC pseudopotential?


Not sure - some seem to be distributed with the code:
Quick Start - Command Line — BigDFT-suite 1.9.2 documentation<https://l_sim.gitlab.io/bigdft-suite/school/CMDStart.html>
l_sim.gitlab.io<https://l_sim.gitlab.io/bigdft-suite/school/CMDStart.html>
[cid:2f5092d8-8b51-4fb3-8f69-fff866789f8b]<https://l_sim.gitlab.io/bigdft-suite/school/CMDStart.html>

I also ask Matthias Krack, here in cc - I think they are also distributed with CP2K, so we can also update the SSSP pointer.

Nicola

Sent from a tiny keyboard... Contact info:
http://theossrv1.epfl.ch/Main/Contact

On 22 Oct 2024, at 08:12, yike.huang via users <users at lists.quantum-espresso.org> wrote:


Dear QE users and developers,

I am performing atomization energy tests with QE and I find HGH-NLCC pseudopotentials are tested to be excellent (10.1063/1.4793260). I note that on SSSP (Standard Solid State Pseudopotential library, SSSP precision (materialscloud.org)<https://www.materialscloud.org/discover/sssp/table/precision>) there are indeed test result of this pseudopotential family, but seems the resource (http://bigdft.org/Wiki/index.php?title=New_Soft-Accurate_NLCC_pseudopotentials) has been removed. Does anyone know where I can download this set of pseudopotentials? Thanks pretty much!

Very best wishes,
Yike HUANG

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