construction for interface between two crystalline phases
Is it possible to use wulffpack to determine a shape of a particle with one crystal lattice that is an inclusion in another with a different lattice? The orientation relationship is fixed, and we can compute the interface energy as a function of interface (habit) plane in 5-10 degree increments.
Could we just pass wulffpack a cubic cell with random atoms that break the symmetry (so spglib doesn't detect any), and pass an exhaustive list of surface energies for every orientation we compute? Can you think of a simpler approach