[CP2K-user] [CP2K:19642] convergence problem of NEB calculations

Krack Matthias matthias.krack at psi.ch
Mon Dec 11 09:51:44 UTC 2023


Hi

Your question concerns a VASP input but this is the CP2K and not the VASP forum.

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of theta <wishkb90 at gmail.com>
Date: Monday, 11 December 2023 at 04:39
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:19641] convergence problem of NEB calculations
Hi,
I'm doing NEB calculations, but the structures are not going to converge. Can anybody suggest the problem? I have attached input and output.
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