Next: 41.5.2 Options for spin-orbit Up: 41.5 Modifying the unperturbed Previous: 41.5 Modifying the unperturbed

41.5.1 Print Options for spin-orbit calculations

PRINT,option$_1$=value$_1$, option$_2$=value$_2, \ldots$

where option can be

HLS
HLS=-1 only the SO energies and transition matrix elements between ground and excited states are printed (default).
HLS$ \ge 0$: The SO matrix is printed.
HLS$\ge 1$: The property matrices are printed.
HLS$\ge 2$: The individual matrix elements are printed (same as OPTION,MATEL).
HLS$\ge 3$: Debugging information is printed.
VLS
VLS=-1: No print of eigenvectors (default).
VLS$ \ge 0$: The eigenvectors are printed.



molpro@molpro.net
Oct 10, 2007