|Deletions are marked like this.||Additions are marked like this.|
|Line 4:||Line 4:|
|ultrasoft pseudo-potentials. For an overview see the `Pseudopotential Library` page`_.||ultrasoft pseudo-potentials. For an overview see the `Pseudopotential_Library`_ page.|
|Line 24:||Line 24:|
|* `Download <Installation>`_ and install ASE.||* `Download <Installation>`_ and install Dacapo.|
|Line 28:||Line 28:|
|.. _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).