[DFTB-Plus-User] Geometry optimizations with PBC

[Jerry Tanoury]

Dear all,
I am trying to run a geometry optimization with periodic boundary conditions.  However, I am getting errors that I do not know how to fix.  I have attached my input and output files.

Thank you so much for your help,
Jerry


Gerald J. Tanoury, Ph.D.
Principal Scientific Fellow
Vertex Pharmaceuticals
50 Northern Avenue
Boston, MA 02210
Office: 617-341-6219
Cell: 508-740-4986
jerry_tanoury at vrtx.com<mailto:jerry_tanoury at vrtx.com>
www.vrtx.com<http://www.vrtx.com/>



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