fcf is an auxiliary program which can be used to calculate Franck-Condon factors from two vibrational mode calculations.[18]
fcf requires an ascii input file where the user specifies the TAPE21 files from two adf vibrational mode calculations, carried out for two different electronic, spin or charge states of the same molecule. These calculations can be either numerical or analytical. The number of vibrational quanta that have to be taken into account for both states in the evaluation of the Franck-Condon factors have to be specified.
fcf produces a (binary) KF file TAPE61, which can be inspected using the kf utilities. Furthermore, fcf writes the frequencies, vibrational displacements and electron-phonon couplings for both states too the standard output, including any error messages.
Introduction
