COSX_MAXITER_FINAL

Controls SCF iteration behavior for the larger (i.e., final) COSX grid. -1 fully converges the SCF on the final grid if possible, ending early if MAXITER total SCF iterations are reached (failure). 0 disables the final COSX grid entirely. n runs up to n iterations on the final COSX grid, ending early if SCF convergence is reached (success) or if MAXITER total SCF iterations are reached (failure).

  • Type: integer

  • Default: 1