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Dacapo 
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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.

This page along with examples and manual describes how to use dacapo 
using the new `ASE2`_ python interface. 

The old `CamposASE`_ page describes the previous version of ASE/dacapo. 


.. figure:: nitrogenase_centralligand.jpg
   :width: 250
   :align: left
   :alt: nitrogenase
   :figwidth: 250

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

.. _CamposASE: http://oldwww.fysik.dtu.dk/CAMPOS/
.. _ASE2: http://www.fysik.dtu.dk/campos/ASE

