[CP2K-user] [CP2K:21865] Re: AUX_FIT basis set is not defined

['Sergio Correal Lopez' via cp2k]

Thank you very much, Konstantin. Indeed, specifying  BASIS_SET AUX_FIT for 
all atoms in the system solved the issue.

On Tuesday, September 23, 2025 at 1:46:17 PM UTC-7 Konstantin Tokarev wrote:

> I guess this error refers to "BASIS_SET AUX_FIT" not being set for Au in 
> the input file.
>

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