DFTB+XT open software package for quantum nanoscale modeling

DFTB+ eXTended version for model and atomistic quantum transport at nanoscale, many-body nonequilibrium phenomena, material & device modeling

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Download current release version

You can download the full DFTB+XT package as one tar.gz file.


Development version

The development version is available at GitHub


together with the experimental version of the CP2K+XT package, which can be used in combination with DFTB+XT package

https://github.com/dryndyk/cp2kXT.git .


See the INSTALL.rst file in the source for compilation instructions. The compilation conditions are equivalent to DFTB+ .


You can also use the DFTB+XT LiveDVD with the full functional version of DFTB+XT.

You can download the full DFTB+XT LiveDVD .iso image as one zip file.

dftb+xt_1.01_live.iso (1.3 GB)