This repository includes the tools necessary to construct and optimise surfaces from any given bulk structure. Surfaces are first generated with the surface_cleaver.py code. All generated structures can then be optimised with the Birch-Murnaghan EOS using the bm_generate.py script, whose results can be read by the bm_reader.py script. The bm_final.py snippet generates the final structure representative of the surface slab.
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A repository for surface cleavage and optimisation tools.
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ericmates/surface_maker
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A repository for surface cleavage and optimisation tools.
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