xtb - An extended tight-binding semi-empirical program package
The xtb program (Linux version only) can be obtained freely for academic use upon request. Please contact [Email protection active, please enable JavaScript.] for details.
- A GitHub repository is available here.
- Link to the binaries
- Online User Guide
- The crest binary (Linux systems only) can be downloaded from its GitHub repository (https://github.com/grimme-lab/crest).
- subscribe to the xtb-user list
