Dipole moment and dipole gradient contributions: *DIPCTL

Directives controlling the calculation of contributions to the dipole gradient appear in the *DIPCTL section.

.NODC

Neglect contributions to traces from inactive one-electron density matrix. This will give wrong results for the dipole gradient. Mainly for debugging purposes.

.NODV

Neglect contributions to traces from active one-electron density matrix. This will give wrong results for the dipole gradient. Mainly for debugging purposes.

.PRINT

READ (LUCMD,*) IPRINT

Set print level in the calculation of the dipole gradient. Read one more line containing print level. The default is the variable IPRDEF from the general input module.

.SKIP

Skip the calculation of dipole gradient.

.STOP

Stop the program after finishing the calculation of the dipole gradient. Mainly for debugging purposes.