IitialConditions_RoVib: Code to generate the Initial Conditions for the HOD molecule using the SRP32-vdW functional Surfaces: Equilibrated Ni(111) surfaces at 550 K containing cartesian positions and velocities Job: Job file for HOD on Ni(111) containing the velocity rescaling needed to prepare the initial velocities according to the Velocity-Verlet algorithm as implemented in VASP 5.3.5 POTCAR: pseudopotentials