DFTB+ recipes#
- Introduction
- Basic usage
- Extended tight binding
- Molecular dynamics
- Solvation effects
- Graphene defect calculations
- Linear response excitations
- Electronic dynamics
- Parallel usage of DFTB+
- Property calculations
- REKS
- Electron transport
- Boundary conditions
- Reaction path search
- Interfaces with other codes
- Licence
- Bibliography