[CP2K-user] Error: CPASSERT failed

Lucas Bandeira bandeir... at gmail.com
Sun May 9 21:01:41 UTC 2021


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:

*CPASSERT failed*

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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