InitialConditionsCHD3_032_general: Code to generate the Initial Conditions for the CHD3 molecule using the SRP32-vdW functional Surfaces_111: - Equilibrated Pt(111) surfaces at 500 K containing cartesian positions and velocities - INPUTS used for the equilibration - script to initialize the surfaces Surfaces_211: Same but for Pt(211) equilibrated at 650 K Job_111: 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 Job_211: Same but for CHD3 on Pt(211) POTCAR: pseudopotentials