Introduction
The surface_energy_static calculation style evaluates the formation energy for a free surface by slicing an atomic system along a specific plane.
Version notes
2018-07-09: Notebook added.
2019-07-30: Description updated and small changes due to iprPy version.
2020-05-22: Version 0.10 update - potentials now loaded from database.
2020-09-22: Calculation updated to use atomman.defect.FreeSurface class. Setup and parameter definition streamlined.
Disclaimers
Other atomic configurations at the free surface for certain planar cuts may have lower energies. The atomic relaxation will find a local minimum, which may not be the global minimum. Additionally, the material cut is planar perfect and therefore does not explore the effects of atomic roughness.