Command VibAve

Comand format

VibAve

This command performs a vibrational average of matrix elements in one dimension.

Data records used

• VibAveInp defines how the average is performed
• IPot, the ionization potential in eV.

Optional data records used

• Label, used in the text written to PlotData.
• VibBend if present it indicates that this is a calculation for a bending mode. In then contains data needed for the bending mode calculation.