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Take the above table as reference for the orders of magnitude of surface energies. You will find in3 /cluster/home03/matl/danielep/LECTURE3 the necessary files for computing the surface energies of all 3 high symmetry faces of gold. In principle all reconstructed phases should be with a lower surface energy, but this EAM potential fails for some of them. The input files are:
The compute_surf scripts give an idea how to compute the surface energies. Assignments: