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Preprocessing

First, create a subdirectory within the directory of the optimized geometry. This will be a general working directory, like fidis or disps for example. Into this directory copy input.dat, file30, file11.dat, geom.dat, and intco(if intco section is not in input.dat). File11 and geom should have only one entry, corresponding to the equilibrium geometry. The geometries in file11 and geom must be identical.



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Tue Aug 12 10:50:18 EDT 1997