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Barrier plot: (aaa-aee)

With LAMMPS NEB, the lower curve is obtained. The higher one represents Nithin's. 1. The plot obtained with LAMMPS is invariant with changes in spring stiffness, so the result converges. 2. In lammps neb, the end points are allowed to move during runs, and find minima. With the 'quickmin' minimizer, lammps neb was unable to find the minima for the end-points. However, when I used 'fire' minimizer, the end points fell into minima easily. Nithin was using Zhi's code which used quickmin minimizer but kept the ends fixed. The difference in minimizer performance could explain the observed difference in the plots.

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