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Version(s) of DFTB+ available for download after registration (free of charge for non-commercial use):

  • DFTB+ 1.2 (current stable release)
  • DFTB+ NEGF (feature prerelease with non-equilibrium Greens functions for electron transport calculations)
  • DFTB+ MPI (development snapshot of the MPI-parallelised version, for experienced users only!)
  • DFTB+ MPI-NEGF (development snapshot of the MPI-parallelised version with non-equilibrium Greens functions for electron transport calculation)

Version(s) of DFTB+ available without registration:

Parametrisation

The DFTB+ code needs parameterisation data (Slater-Koster files) in order to perform calculations. These parameters are not distributed with the code.

You can download the Slater-Koster files from dftb.org. The Slater-Koster files are distributed under a different licence  from DFTB+, so you will have to sign a separate licence agreement to obtain these files. Please note that your account to download parameters at the dftb.org site is separate to any account you may have at dftb-plus.info.