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Hotbit

Hotbit is an open-source charge-self-consistent density-functional tight-binding code (SCC-DFTB) and a native calculator for python's atomic simulation environment (ASE).

Contents

1. About hotbit
2. Download and installation
3. Manual:

• Calculator (what Hotbit features)
• Getting started
• Charge self-consistency and Coulomb interaction
• Parameters and Parametrization (how to make parametrizations)

4. Code development (for code developers)