InitialConditionsCHD3-PBE: Code to generate the Initial Conditions for the CHD3 molecule using the SRP32-vdW functional Surfaces: - Equilibrated Pt(111) surfaces at 500 K containing cartesian positions and velocities Job: Job file for CHD3 on Pt(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