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

Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot

Contact emails: lammps@u-bourgogne.fr, nsalles@laas.fr

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.