[CP2K-user] [CP2K:15316] Error: CPASSERT failed

Krack Matthias (PSI) matthi... at psi.ch
Mon May 10 08:40:37 UTC 2021

Hi Lucas

The extrapolation method USE_PREV_P is not available with k points in CP2K v6.1. Either you use the latest CP2K release (or the trunk version) or you switch to USE_GUESS as extrapolation method.



Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von Lucas Bandeira
Gesendet: Sonntag, 9. Mai 2021 23:02
An: cp... at googlegroups.com
Betreff: [CP2K:15316] Error: CPASSERT failed

Dear cp2k group,

I am trying to optimize a Cu structure using cp2k interfaced with ASE, but after the first SCF the calculations are interrupted, and the following message is printed:


Could somebody help me to solve this error?

Attached are the ASE file that I am using, the cp2k input file that ASE generates, and the output file.

Yours faithfully,

Lucas Bandeira
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