Next: 28.6.2 ORBITAL Up: 28.6 CUBE Previous: 28.6 CUBE

28.6.1 DENSITY -- source of density

DENSITY,[density-source]
GRADIENT,[density-source]
LAPLACIAN,[density-source]

Compute the density and, optionally, its gradient and laplacian. <density-source> may be a record number containing the required density, and may contain further qualification, such as set number, in the usual way. By default, the last computed density is taken.


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