Next: 18.2.1 Density source (DENSITY,
Up: 18 THE DENSITY FUNCTIONAL
Previous: 18.1.41 Alias functional descriptions
18.2 Options
The following options may be used to control the operation of the DFT
modules. In the Kohn-Sham case, these may be followed by further
options for the SCF program as described in Section
13. Note that DFT and SCF options cannot be intermixed.
Subsections
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002