Figure 1.5
A downhill walk following the steepest decent pathway from an initial point can be accomplished based on geometry optimization techniques. Geometry optimization can be started from any point on the PES. The initial structure will be converged to an EQ or a DC structure.

A downhill walk following the steepest decent pathway from an initial point can be accomplished based on geometry optimization techniques. Geometry optimization can be started from any point on the PES. The initial structure will be converged to an EQ or a DC structure.

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