Name
POWELL — Replaced automatically with TRUSTG.
Description
A geometry optimization to minimize the gradient norm is performed using the Powell
algorithm. The search direction is chosen as the steepest descent, the full Newton quadratic
direction, or a hybrid of the two. POWELL provides the index of the Hessian at the starting
point, an estimate of the index at the final point, and a statistical estimate of the accuracy
of the final geometry. This method is probably the best choice for refining the approximate
geometry of a transition state.
