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35.2.7 Loading one-electron property operators

LOAD,name,OPER,opname,[isym],x,y,z

loads one-electron operator opname, where opname is a keyword specifying the operator (a component must be given). See section 4.13 for valid keys. isym is the total symmetry of the operator (default 1), and x,y,z is the origin of the operator. If the operator is not available yet in the operator record, it is automatically computed. The nuclear value is stored in variable OPNUC (this variable is overwritten for each operator which is loaded, but can be copied to another variable using the SET command.



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000