## page was renamed from Dacapo

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Dacapo
======

**WARNING:** The Dacapo code is **not being maintained any longer** and should not be used for any new projects!

Description
===========

Dacapo is a total energy program based on density functional theory. It uses a plane wave basis 
for the valence 
electronic states and describes the core-electron interactions with Vanderbilt 
ultrasoft pseudo-potentials. For an overview see the `Pseudopotential_Library`_ page.

Calculations using `dacapo` are done using the
`Atomic Simulation Environment`_ (ASE).


.. figure:: nitrogenase_centralligand.jpg
   :width: 120
   :align: center
   :alt: nitrogenase

   A model of the active site of the enzyme nitrogenase,
   J. Am. Chem. Soc. 125, 1466 (2003)).


Get Started
===========

 * Go to the `Introduction to dacapo <Introduction>`_.
 * Take a look at the `Manual <Manual>`_, Examples_ and `Tutorials <Tutorials>`_.
 * `Download <Installation>`_ and install Dacapo.


.. _CAMP: http://www.camp.dtu.dk
.. _Atomic Simulation Environment: https://wiki.fysik.dtu.dk/ase/