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Next: 47.3 Saving the hessian Up: 47 HARMONIC VIBRATIONAL FREQUENCIES Previous: 47.1 Options   Contents   Index   PDF

47.2 Printing options (PRINT)

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$^{-1}$ (default 150). If a value $>0$ is given, frequencies below this value are not printed.



molpro@molpro.net 2018-06-18