OPTIM output files (some of the them at least)
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EofS --- the energy as a function of the path length
EofI --- ????
RmsofI --- ????
SofI --- ????
AvDevofI --- ????
points.min/points.ts --- direct access files for PATHSAMPLE
points.final.<n> --- ????
neb.EofS --- Energy profile of NEB images
neb.out --- NEB coordinates will be saved to binary file every 100 iterations
neb.xyz --- NEB coordinates will be saved to xyz file every 100 iterations
path.<n>.xyz --- coordinates for path printed where <n> = the TS number
geometry.xyz ---
min.data.info.<n> --- coordinate input files for input minima created by OPTIM for PATHSAMPLE
path.info.data.<n> --- min.ts.min triple with frequencies, and structures created by OPTIM for PATHSAMPLE