Electronic band structure of graphene as calculated by VASP Γ M K
- C. Rivas
- Appl. Phys. Lett.,
The calculation of electron-phonon interaction from first principles has recently become feasible using density-functional perturbation theory (Quantum Espresso)  and the small displacement method (GPAW) . We determine the strength of the electron-phonon interaction using the Vienna Ab-Initio Simulation Program (VASP)  with the small displacement method using PHONOPY . We illustrate our approach using graphene and calculate the interband deformation potentials for bulk Si relevant for Band-to-Band Tunneling (BTBT).