dftbplus-python
DFTB+ general package for performing fast atomistic simulations
DFTB+ general package for performing fast atomistic simulations
To install this package, run one of the following:
Summary
DFTB+ general package for performing fast atomistic simulations
Last Updated
Dec 18, 2025 at 22:04
License
LGPL-3.0-or-later
Total Downloads
24.3K
Supported Platforms
Home
https://dftbplus.orgGitHub Repository
https://github.com/dftbplus/dftbplusDocumentation
https://dftbplus-recipes.readthedocs.io