First, cd to the hib43/bin/progs directory
Then, link a hibridon executable module using the Ar-N2 potential % makehib arn2 151Then copy a representative input file to this directory
% cp ../../tests/Arn2_test.inp .Now you are ready to carry out demonstration examples of the following operations: Or of the following commands:
DIFCRS: Calculate a differential cross section using
previously computed S matrices
DIFFER: Compares two previously computed S
matrices
EADIAB: Determine locally adiabatic energies using previously
calculated transformation matrices
FLUX: Determine quantum fluxes for photodissociation or collisions
INTCRS: Calculate integral cross sections using
previously computed S matrices
MINPOT: Estimate minimum in the isotropic
part of potential
MRCRS: Determine m-state resolved integral cross sections
using previously determined tensor cross sections
OPTIMIZE: Optimize one (or more) system independent
parameters
PARTC: Print out a subset of previously
calculated partial cross sections
PRINTC: Print out a subset of previously
calculated integral cross sections
PRINTS: Print out previously
calculated S matrices
PSI: Determine the expansion coefficients of selected channel components of the scattering wavefunction
READ: Read in parameters and flags
from the currently defined input file.
RUN: Start a scattering calculation using the current
parameters and flags
QUIT: Terminate the currently running
scattering program
SAVE: Save the current
parameters and flags
SHOW: Display on the screen and in the
main output file the current parameters and
flags
TENXSC: Calculate tensor cross sections
using previously computed S matrices
TESTPOT:Print out value of the potential and/or the expansion coefficients
of the potential at a given value of R
TURN: Estimate classical turning point from isotropic
part of potential