Surface Builder

Create surfaces based on crystallographic planes respecting stoichiometry:
Surface Builder constructs 2D/3D periodic slab models for VASP or other calculations.
Interactive sliders allow to modify the surface termination.

MedeA analyses symmetry and allows to choose fast optimization with symmetry constraints, as well as unrestricted optimization for surface reconstructions.

Results from Surface Builder

  • Surface models for VASP calculations
  • Initial model preserves stoichiometry of surface model
  • Modify surface by removing half-planes to avoid polar surfaces.

Part of the core MedeA framework.