xtb - An extended tight-binding semi-empirical program package.

More Information

For more information visit the xtb website.

Available Versions

These versions of xtb are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Version BEAR Apps Version
6.5.1-foss-2022a 2022a