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We present the Step and Slide method for finding saddle points between two potential-energy minima. The method is applicable when both initial and final states are known. The potential-energy surface is probed by two replicas of the system that converge to the saddle point by following isoenergetic surfaces. The value of the transition-state potential is bracketed in the process, such that a convergence criterion based on the potential can be used. We applied the method to study diffusion mechanisms of a small Ag cluster on a Ag(111) surface using an embedded-atom method potential. Our approach is comparable in efficiency to other commonly used methods.
Miron et al. (Thu,) studied this question.
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