Users Group Meeting 2011
Presentations available:
access to presentations
Tip of the day
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.