edited output routine and deleted tmp directory to get a clean build with eclipse
[cluster_expansion.git] / input.ini
blob414b25dd48edaedbb646cb3ab1bbd113cbd0b143
1 ; input file for the cluster expansion of lateral interaction of CO molecules adsorbed
2 ; at bridge sites
4 [cell_definition]
5 ; first: definition of the unit cell in terms of multipliers of x,y of square c(2x2) unit cells
6 unit_cell_x = 1
7 unit_cell_y = 1
9 ; now defining the CO adsorbate positions, for each adsorbed CO an own section
10 [CO_1]
11 x = 0.25
12 y = 0.25