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PRINT,options
This directive can be used to control the output:
The following options can be given:
- HESSIAN
- Print the force constant matrix (hessian) i.e. the
second derivative matrix of the energy and the mass weighted hessian matrix.
- LOW
- Print low vibrational frequencies (i.e. the 5 or 6
frequencies belonging to rotations and translations) and their normal modes (default;
LOW=-1 suppresses the print).
- LOW=value
- Threshold for printing low vibrations
in cm (default 150). If a value is given, frequencies below this value
are not printed.
molpro@molpro.net
Sep 24, 2008