Value of RMS of the density cumulant residual and SCF error vector below which DIIS extrapolation starts. Same keyword controls the DIIS extrapolation for the solution of the response equations.
- Type: conv double
- Default: 1e-3
Value of RMS of the density cumulant residual and SCF error vector below which DIIS extrapolation starts. Same keyword controls the DIIS extrapolation for the solution of the response equations.
- Type: conv double
- Default: 1e-3