In the last exercise you have calculated the energy for Ethane for two slightly different geometries and you have noticed that the geometry optimization was not able to change one structure to the other with lower energy. As presented in the lecture, it may happen quiet often that a minimization algorithm gets stuck in a local minimum, respectively it is not guaranteed to find the global minimum.

In this exercise, we will therefore perform Nudged Elastic Band (NEB) calculations using the same molecule as before and investigate the energy path between the two configurations.