DFTB+ is a software package for carrying out fast quantum mechanical atomistic calculations based on the Density Functional Tight Binding method. It can be either used as a standalone program or integrated into other software packages as a library.
The first version 17.1 was released on Jun 16 2017. The Zenodo DOI included here represents all versions of the software, and will always resolve to the latest release.
DFTB+ is released under the GNU Lesser General Public License. Please consult the included LICENSE file for the detailed licensing conditions.
The project is hosted externally on a github/Zenodo integration.
|Date made available||13 Sep 2019|