Next, we have also studied dynamics when deuterium (D) is mixed with hydrogen on the surface. Figure shows the desorption yield (Y) as a function of time for an equal ratio of H J/m 2 . First, it can be seen that the integration time of 800 fs used in ref 17 does not result in completely converged results. The integration time in that study was constrained due to the associated large computational cost. Due to the speed of our potential evaluation, all our results are calculated with an integration time of 2 ps for which yields are well converged.