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

[Nicola Marzari]

Not sure - some seem to be distributed with the code:
<https://l_sim.gitlab.io/bigdft-suite/school/CMDStart.html>
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>
        [X] <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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