CFOUR_SPIN_ORBIT

Experimental Use! ON (=1) requests calculation of one-electron spin-orbit integrals. MEANSO additionally gives a mean-field treatment of the two-electron terms (spin-orbit mean field treatment as described Mol. Phys. 98, 1823-1833 (2000)).

  • Type: string

  • Possible Values: ON, MEANSO, OFF

  • Default: OFF