Convergence problem with tiny molecule

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Forum Vet

1:29:01 AM PST - Sat, Dec 12th 2015

Dear Dr. Edoapra

  Your input makes the run converge at the 4th step, and a 3-core run gives

     Optimization converged

     ----------------------

 Step       Energy      Delta E   Gmax     Grms     Xrms     Xmax   Walltime

 ---- ---------------- -------- -------- -------- -------- -------- --------

@ 4 -3610.93303786 -2.1D-07 0.00000 0.00000 0.00020 0.00027 146.2

                                    ok       ok       ok       ok