Next: 35.2.7 Loading one-electron property Up: 35.2 Loading matrices (LOAD) Previous: 35.2.5 Loading the one-electron

35.2.6 Loading the kinetic or potential energy operators

LOAD,name,EKIN

LOAD,name,EPOT

loads the individual parts of the one-electron hamiltonian in the AO basis. EPOT is summed for all atoms. The keyword EKIN (EPOT) needs not to be given if name=EKIN (EPOT).



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