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In the SADDLE calculation the distance between the two geometries is
steadily reduced until the transition state is located. Sometimes,
however, the user may want to alter the maximum rate at which the
distance between the two geometries reduces. BAR is a ratio, normally
0.15, or 15 percent. This represents a maximum rate of reduction of the
bar of 15 percent per step. Alternative values that might be considered
are BAR=0.05 or BAR=0.10, although other values may be used. See also
SADDLE.
If CPU time is not a major consideration, use BAR=0.03.
root
2003-07-07