DensityFitControls
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 nontrivial 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 (nonhybrid) functionals. ExtraDensityBasis,
Gen, ChkBasis
