Usage in xtb
Contents
Usage in xtb#
The tblite project originated from the xtb program package.1
Note
Support in xtb
is planned for the version 6.5.0 release.
Literature#
- 1
Christoph Bannwarth, Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, Philipp Pracht, Jakob Seibert, Spicher Spicher, and Stefan Grimme. Extended tightâbinding quantum chemistry methods. WIREs Comput. Mol. Sci., 11:e01493, 2020. doi:10.1002/wcms.1493.