[CP2K-user] [CP2K:19174] using .cif
Jürg Hutter
hutter at chem.uzh.ch
Fri Aug 4 09:03:29 UTC 2023
Hi
there should be more information in your output file that points to the source of the error.
regards
JH
________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Teodora Kirova <tvkirova at gmail.com>
Sent: Friday, August 4, 2023 10:49 AM
To: cp2k
Subject: [CP2K:19173] using .cif
Hi all, I am new to cp2k and have some questions.
I am trying to use TOPOLOGY with a .cif file, which I got from the materials project.
However the running process is aborted ( see attachment). How can I fix that?
Thanks!
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