Table 2.

LIO RT-TDDFT performance for selected systems.

System	Atoms	Full electron			ECP			Speedup
		Time Step (a.u.)	Average time per step (s)	fs/day	Time Step (a.u.)	Average time per step (s)	fs/day
CH4	5	0.076	0.022	7624	0.52	0.015	70500	9.25
CCl4	5	0.0095	0.030	680	0.16	0.022	15000	21.66
CI4	5	0.00075	0.059	24	0.16	0.022	15144	586.46
${\left[\text{Fe}{(\text{CN})}_6\right]}^{4-}$	13	0.0038	0.141	48	0.0072	0.099	152	3.13
${\left[\text{Ru}{(\text{CN})}_6\right]}^{4-}$	13	0.0011	0.178	17	0.018	0.108	348	20.58

Effective core potentials and full-electron calculations were carried out with CEP and DZVP basis sets, respectively. Data from Foglia et al. (2017).