had passed and thus the dynamics are reset to wave function saved at 1800 a.u. The reset is shown in Fig. , where the current density (full green line) is moved slightly towards a more negative displacement compared to the density in iteration 21 (dashed greeen line). At this point the PES was considered converged and all integration boxes are evaluated with the reset density. Similar to the integrals evaluated in Fig. , these integrals are saved and used to evaluate the change of the integration boxes in the subsequent convergence checks.