Manual:HAMILTONIAN:Sample inputs

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Add dipole perturbation of strength 0.01 au in the z-direction to the nonrelativistic Lévy-Leblond Hamiltonian:

**HAMILTONIAN
.LEVY-LEBLOND
.OPERATOR
 ZDIPLEN
 COMFACTOR
 0.01

Do a 4-component B3LYP calculation with high precision in the radial grid:

**DIRAC
.WAVE FUNCTIONS
**WAVE FUNCTIONS
.DHF
**HAMILTONIAN
.DFT
 B3LYP
*DFT
.RADINT
 1.0D-15

A functional can also be specified manually through the GGAKEY keyword. In the next input example we use the PW86X and P86C functionals for exchange and correlation respectively. We also tighten the angular grid and make the pruning less pronounced:

**DIRAC
.WAVE FUNCTIONS
**WAVE FUNCTIONS
.DHF
**HAMILTONIAN
.DFT
 GGAKEY PW86X=1.0 P86C=1.0
*DFT
.ANGINT
 53
.ANGMIN
 15