[CP2K-user] [CP2K:17518] UZH potentials and basis - CPASSERT failed

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Sat Aug 20 16:15:30 UTC 2022


Hi 

I'm trying to use the BASIS_MOLOPT_UZH and POTENTIAL_UZH for a CuO system.

My inputs and outputs are attached.

I am getting a CPASSERT failed error in "atom_utils.F:2198".

Any ideas on what's going on and a possible fix?

Thanks,
Frank

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