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.

Surface Builder

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.