NEWTON — Minimize energy using full Hessian.

NEWTON

NEWTON calls a procedure to minimize the heat of formation (energy) using the full
Newton algorithm. This is a very accurate and highly reliable method for geometry
optimization, but slow for larger systems since it includes the calculation of a full
Hessian matrix at each step in the optimization. See
Chapter 4, *Computational Procedures* for a more complete
discussion about the
LTRD and NEWTON quadratic optimization methods.

The use of the regular AMPAC keyword NEWTON along with
ANNEAL forces a second phase of quenching
using the more reliable NEWTON algorithm. See Chapter 13, *Simulated Annealing*
for a more complete discussion about
the effect of using LTRD or NEWTON in simulated annealing calculations.

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