[CP2K-user] [CP2K:20855] KS energy is an abnormal value (NaN/Inf).

['Jordan Burkhardt' via cp2k]

I am getting an error when performing geometry optimizations after the 
first SCF cycle. "KS energy is an abnormal value (NaN/Inf)." 
in qs_ks_methods.F:870. Everything is working fine for single point energy 
calculations for the same geometries and input parameters. Does anyone know 
how to fix this or what may be wrong?

-Jordan Burkhardt

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