Often it may be sufficient to compute the spin-orbit matrix
elements in a smaller basis or at a lower computational level than the energies. It is
therefore possible to replace the energy eigenvalues
by precomputed values, which are passed to the spin-orbit program by the MOLPRO
variable `HLSDIAG`. The energy values in `HLSDIAG` must be in exactly the same order
as the states in the records given on the `HLSMAT` card. Before any spin-orbit calculation,
the variable `HLSDIAG` must either be undefined or cleared (then the original energies are used),
or must contain exactly the number of energies as the number of states treated in the
subsequent spin-orbit calculation (use `CLEAR,HLSDIAG` to clear any previous values
in the variable). It is the user's responsibility that the order of the energies in
`HLSDIAG` is correct!

molpro@molpro.net 2018-06-21