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

[Krack Matthias]

Dear all

The NLCC GTH PPs can be found like all available GTH PPs in CP2K’s database folder cp2k/data<https://github.com/cp2k/cp2k/tree/master/data>. The NLCC PPs from doi:10.1063/1.4793260<https://pubs.aip.org/aip/jcp/article/138/10/104109/192958/Norm-conserving-pseudopotentials-with-chemical> are collected in the file NLCC_POTENTIALS<https://github.com/cp2k/cp2k/blob/master/data/NLCC_POTENTIALS>.

HTH

Matthias

From: users <users-bounces at lists.quantum-espresso.org> on behalf of yike.huang--- via users <users at lists.quantum-espresso.org>
Date: Tuesday, 22 October 2024 at 09:22
To: pdelugas at sissa.it <pdelugas at sissa.it>, users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Where to get HGH-NLCC pseudopotential?
Hi, Pietro!

Thanks for your reply, I have noted that library before, but there are only pseudopotentials without NLCC (the nonlinear core correction), they are not the version tested in the work " Norm-conserving pseudopotentials with chemical accuracy compared
 to all-electron calculations" (doi: 10.1063/1.4793260).

Very best wishes,
Yike HUANG

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