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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