Interface Builder

Search for optimal matches between two interfaces by exhaustive geometric searches: Interface Builder constructs 3D periodic models for VASP or other calculations.

Results from Interface Builder

  • Interface models for VASP calculations
  • Prepare models of different lateral displacements (points on γ surface)
  • Explore twist grain boundaries
  • Reported lattice mismatch

Computational characteristics

Fast: based on geometric features of two surfaces without resorting to energy calculations

Required MedeA modules

Core MedeA environment