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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 **

[wiki:About About hotbit]
[wiki:Installation Download and installation]
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)

[wiki:Development Code development] (for code developers)

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

http://pekkosk.github.io/hotbit