The program allows either the computation of individual spin-orbit matrix elements for a given pair of
states, or the automatic setting-up and diagonalization of the whole matrix for a given set of
electronic states. In the latter case, matrix elements over one-electron operators
are also computed and transformed to the spin-orbit eigenstates (by default, the dipole matrix
elements are computed; other operators can be specified on the `GEXPEC` or `EXPEC` cards,
see section 6.13). Since it may be often sufficient to compute the spin-orbit matrix
elements in a smaller basis than the energies, it is possible to replace the energy eigenvalues
by precomputed values, which are passed to the spin-orbit program by the MOLPRO
variable `HLSDIAG`.

molpro@molpro.net 2019-03-18