Gaussian 03 Online Manual
Last update: 2 October 2006


Controls density fitting for the Coulomb problem. Density fitting basis sets are specified as part of the model chemistry within the job's route section, discussed here. DenFit is a synonym for this keyword.

Controls whether a generalized inverse is formed or the fitting equations are solved iteratively. NonIterative is the default except for ADMP.

Set the tolerance for a non-trivial eigenvalue of the generalized inverse of the fitting matrix to 10-N.

Specifies 10-N as the convergence criterion for iterative solution of the fitting equations. Implies Iterative. The default is 10-6 for ADMP and 109 for the BOMD.

Applies only to DFT calculations using pure (non-hybrid) functionals.

ExtraDensityBasis, Gen, ChkBasis