Welcome to the GitHub Pages of the Hotbit code
Hotbit is a native density-functional tight-binding calculator for python's atomic simulation environment (ASE).
Hotbit philosophy
Hotbit aims to provide
- an open-source DFTB code
- a handy companion for DFT (for easy & fast electronic structure analysis, for quick access to dynamical properties for testing, and for playing around)
- a compact and accessible code for everyone to inspect and modify (avoiding parallelization implies that the code is less suitable for large systems)
- an intuitive user interface (ideal for learning and teaching realistic electronic structure simulations)