big reaction paths

Chris Evenhuis c_evenhuis at yahoo.com
Thu Mar 7 23:11:22 GMT 2002


i'd like a long reaction path, around 10 bohr change
in bondlength, with geometries spaced by about 0.5
bohr.

i have tried adjusting idir, step and itmax but none
of these affect the number of points in the reaction
path or the distance between them. 

any ideas?

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