Segmentation Violation error for Cr2 PBE aug-cc-pvqz


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Could you try reducing the memory per core, i.e. "memory total 1000 mb".

Bert



Quote:Marcindulak Dec 28th 1:49 pm
Hi,

it fails at:

Superposition of Atomic Density Guess



Sum of atomic energies: -2762.66188442
0:Segmentation Violation error, status=: 11
....