Using the nudged elastic band method to determine the minimum energy path

In this paper we consider a problem of finding minimum energy path. This problem arises when analyzing transition processes between different structural states in systems with atomic or molecular structure. One way to find this path is to use the nudged elastic band method. This paper includes a formulation of the minimum energy path problem, implementation and application of the nudged elastic band method for different test potentials which represents different energy profiles. The influence of different method parameters on the formation of path and corresponding energy profiles has been investigated.