The VCPLOT program reads the output from the VCHAM programs and plots cuts through the potential energy surfaces. It is a very simple program which writes the data to a file and calls gnuplot to first create a postcript file. The gv program is then called to plot this to screen.

To run the program simply type

vcplot input N
where input is the name of the file containing the data to be plotted and N is the number of the mode along which the cut is to be made. If the arguments are not given, the user is prompted for the file and mode no.

The input file can either be the .vcham file from a fit, or the .info database of ab initio data. In the former case

vcplot input.vcham N
the ab initio points along the cut together with curves from the fit are plotted. In the latter case
vcplot input.info N
only the ab initio points along the cut are plotted. If no type is given, the program assumes it is looking for a .vcham file.

Options
Keyword Description
-si SI SI is the lowest adiabatic state to be plotted
-sf SF SF is the highest adiabatic state to be plotted
-n N The PES is plotted along mode no. N
-n2 N2 The PES is plotted along the diagonal N / N2
-xscl X The diagonal N / N2 has a scaling factor of X
-groundonly Only the ground-state is plotted
-step X The step between points is X
-xrange XI XF The Xrange of the plot is XI to XF
-yrange YI YF The Yrange of the plot is YI to YF
-eshift X The energy of the surfaces is shifted by X
-o The orbital energies are plotted in addition to the state energy (OVGF)
-orbofs X The orbital energies are offset by X
-nofit The model surfaces are not plotted
-vec Plots a vector defined in the file nmvector.
This file contains the coordinates in normal
modes of a final point and an initial point
separated by one blank line.
-tdip Transition dipole magnitudes are plotted
-xtdip, -ytdip, or -ztdip x-, y-, or z-component of the transition dipole is plotted.
-key Plots a key in top right, useful when used with colour
-colour Colours the dots on the graph
-diab Plots the model diabatic surfaces
-diabcp S S2 Plots the model diabatic coupling between states S and S2
-3d N N2 Plots three-dimensional model surfaces in the space spanned by
the the modes N and N2
-scale X Scales the default number of cuts along each mode plotted when
using the -3d option by the factor X.
The default corresponds to 10 cuts along each mode
-zrange ZI ZF The Zrange of the plot when using the -3d option is ZI to ZF