Contents: Table of Contents   About this document ...  Chapter 5  Transition States

PUNCH directives

There are two PUNCH commands which may be of use in the context of force constant calculations.

PUNCH FCM

causes the force constant matrix to be written to fortran unit 7. This has already been mentioned in the context of geometry optimisations where it is sometimes useful to be able to read in a force constant matrix from another job.

PUNCH MODES

causes the matrix describing the normal modes to be written out. This is primarily of use if you have a suitable graphics program for plotting the modes.