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Pekka Koskinen edited this page Dec 14, 2015 · 33 revisions

Hotbit

Hotbit is a charge-self-consistent density-functional tight-binding code (SCC-DFTB), and a native calculator for pythons atomic simulation environment ase

Contents

** Under construction **

  1. [wiki:About About hotbit]
  2. [wiki:Installation Download and installation]
  3. Manual:
  • [wiki:Parameters Calculator] (what Hotbit features)
  • [wiki:Examples Getting started]
  • [wiki:SCC Charge self-consistency and Coulomb interaction]
  • [wiki:Parametrization Parameters and Parametrization] (how to make parametrizations)
  1. [wiki:Development Code development] (for code developers)

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Released under [http://www.gnu.org/copyleft/gpl.html GNU GPL]

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