Gaussian 03 Online Manual
Last
update: 2 October 2006
DensityFit
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.
Iterative
Controls whether a generalized inverse is formed or the fitting equations are
solved iteratively. NonIterative is the default except for ADMP.
InvToler=N
Set the tolerance for a non-trivial eigenvalue of the generalized inverse of the
fitting matrix to 10-N.
Convergence=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 10–9 for the BOMD.
Applies only to DFT calculations using pure (non-hybrid) functionals.
