in each SCF iteration, DIRAC will build the Fock-matrix and then
calculate the energy. It then checks for convergence. If
convergence, the cycle will exit. If not, DIRAC proceeds to
diagonalization of the Fock matrix in orthonormal basis.
This means that if you read in a set of coefficients, DIRAC will
calculate the energy associated with these coefficients. You can
check orbital energies and the coefficients themselves through the
If DIRAC finds that the calculation has converged, it will stop
and print the usual information about total and orbital energies
and you have your original coefficients.
If DIRAC finds that the calculation has not converged, it will proceed to diagonalization, so you get new coefficients.
For your purpose you can either play with the convergence thresholds, as you suggest, or you can play with the MAXITR keyword.
All the best,