When I use analyze_bulks.py on a multicomponent system, I get two plots: one for AB and one for BA, splitting the mixed component structures of the same composition. The issue seems to be from the formula unit calculation, and that the order of a python set is non-deterministic.
When I use
analyze_bulks.pyon a multicomponent system, I get two plots: one for AB and one for BA, splitting the mixed component structures of the same composition. The issue seems to be from the formula unit calculation, and that the order of a pythonsetis non-deterministic.