"I've determined the initial velocities of the surface following its equilibration at 300 K in the NVT ensemble. Now, I aim to conduct AIMD (NVE ensemble)with the metal surface (initially defined velocities from the equilibrating process at 300 K of the surface), the simulation involves a molecule approaching the surface at a certain distance with a specific kinetic energy. What strategies can I employ within VASP to ensure accurate control over these initial velocities in the simulation with NVE ensemble?"
