Limitations

The AOFORCE code has presently a number of limitations one should be aware of:

• It can only handle basis sets up to at most g functions.
• The functionals TPSS and TPSSh are not yet implemented.
• Point groups with reducible E-representations (such as $C_n$ and $C_{nh}$ with $n \ge 3$, $S_n$ with $n \ge 5$, or $T$ and $T_d$)
• Frozen internal or cartesian coordinates are not recognized. AOFORCE will allways evaluate the full hessian matrix.