Next: 36.14 Computing a fock Up: 36 MATRIX OPERATIONS Previous: 36.12 Forming an outer

36.13 Forming a closed-shell density matrix (DENS)

DENS,density,orbitals,iocc$_1$, iocc$_2 \ldots$

Forms a closed-shell density matrix density from the given orbitals. The number of occupied orbitals in each symmetry $i$ must be provided in iocc$_i$.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002