1 ; input file for the cluster expansion of lateral interaction of CO molecules adsorbed
5 ; first: definition of the unit cell in terms of multipliers of A,B of (A*sqrt2 x B*sqrt2) R45 cells
9 ; now defining the CO adsorbate positions, for each adsorbed CO an own section
10 ; giving in fractional coordinates of the unit cell
12 ; first: general information: total number of adsorbates in unit cell
15 ; second: position of each
26 ; now defining symmetry of adsorption position: C2v for bridge site -> 4 symmetrie operations
27 ; given as x,y value pairs of the mirroring vector
29 ; first: general information: total number of symmetrie operations included
31 nr_of_symmetry_operations = 4
33 ; second: vectors for each operation