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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.|
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).