Wrong number of atoms in SCF

Posted by Per-Olof Widmark on November 18, 1999 at 09:57:23:

The SCF program lists atoms multiple times. This is
a bug in the printout routine, and does not affect
the results. This is due to a glitch in the handling
of symmetry generated atoms.

Per-Olof

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: The SCF program lists atoms multiple times. This is : a bug in the printout routine, and does not affect : the results. This is due to a glitch in the handling : of symmetry generated atoms. : Per-Olof