[CP2K-user] [CP2K:17351] which subroutine calculates the nonlocal pseudopotential?

[Jürg Hutter]

Hi

that would be build_core_ppnl in file core_ppnl.F

regards

Juerg Hutter

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Andy <ang.dionysos.gao at gmail.com>
Sent: Friday, July 22, 2022 8:23 AM
To: cp2k
Subject: [CP2K:17351] which subroutine calculates the nonlocal pseudopotential?

I was going through the qs_ks_build_kohn_sham_matrix subroutine, but I did not find the code which integrates the nonlocal part of the pseudopotential into the Kohn-Sham matrix. Can someone please point out the relevant code which handles the nonlocal pseudopotential to me?

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