This package implements the Second Moment Tight Binding - QEq (SMTB-Q)
potential for the description of ionocovalent bonds in oxides.

Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot
at ICB, Universite de Bourgogne and ICMMO, Universite Paris-Sud.

Contact emails:  [email protected], [email protected]

This package is occasionally maintained.

See the doc page for the pair_style smtbq command to get started.

There are potential files for this potential in the potentials dir.

There are example scripts for using this package in
examples/USER/smtbq.