Changes from version c

Input script has changed some.

  1. The scattering symmetry is now specified with the data variable ScatContSym. This name implies that this is the scattering symmetry of the scattering continuum orbital. The variable ScatSym is now used for the scattering symmetry of the total N or N+1 electron state.
  2. New commands have been added to compute the energy expressions and dipole matrix expression for scattering from open degenerate shells. See test17 and test18 for examples.
    generate formulas for the potential and dipole matrix elements
    run the nonlinear cross section program
  3. The format of the energy expression in the data set EngForm has also changed somewhat.
  4. Most input concerning orbital numbering has changed. The orbitals are grouped by their degenerate shells. Thus orbitals are selected and energy expressions are given interms of the shells.