← Revision 22 as of 2010-10-25 15:12:43
Front page dacapo
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|ultrasoft pseudo-potentials. For an overview see the `Pseudopotential Library`_ page.||ultrasoft pseudo-potentials. For an overview see the `Pseudopotential_Library`_ page.|
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|.. _Atomic Simulation Environment: wiki:ASE:||.. _Atomic Simulation Environment: https://wiki.fysik.dtu.dk/ase/|
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).