1 ; Input file for the cluster expansion of lateral interaction of CO molecules
2 ; adsorbed at adsorption sites
4 ; General Parameter section for the simulation
5 ; [SimulationParameters]
7 ; Definition of Unit Cell (Longitude, Latitide) and lattice mesh to be mapped on cell (SizeX, SizeY)
14 ; Definition of surface structure
19 ; Now defining the CO adsorbate positions in fractional coordinates of unit cell
25 ; Site-symmetry of adsorption site described as symmetry operations
26 ; Bridge site (for CO) got C2v symmetry