[CP2K-user] [CP2K:16594] SCCS error

Krack Matthias (PSI) matthias.krack at psi.ch
Tue Feb 15 10:34:52 UTC 2022


Hi Hasan

Note that SCCS is not implemented (does not work) for k points, yet.

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> On Behalf Of Hasan Al-Mahayni
Sent: Monday, February 14, 2022 8:28 PM
To: cp2k at googlegroups.com
Subject: [CP2K:16591] SCCS error

Hi Everyone,

I am trying to simulate an electrocatalytic system involving an electrolyte. To do that, I am using the SCCS tag and Andreussi method. For now, I only consider water. I attached the input file below. I am getting an error, here is a screenshot of the output file:
[image.png]
Does anyone know what is causing this/how to fix this?

Thanks,
Hasan Al-Mahayni
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