Stable release

The last stable release is DFTB+ Release 24.1.

Conda packages

This is the preferred way of obtaining a precompiled version of DFTB+.

Binary DFTB+ packages are available through the conda-forge channel of the Anaconda package management framework.

Package name	Description
dftbplus=24.1=nompi_*	Serial (OpenMP thread parallelised) binaries
dftplus=24.1=mpi_openmpi_*	MPI parallelised binaries (OpenMPI version)
dftbplus=24.1=mpi_mpich_*	MPI parallelised binaries (MPICH version)
dftbplus-tools=24.1	Various tools to process DFTB+ output files
dftbplus-python=24.1	Python interface to the DFTB+ library

See the Installation section of the README for instructions how to install those packages.

Download

executables (x86_64/Linux)

Precompiled executables for x86_64 (64 bit) architecture with Linux operating system. Use the OMP_NUM_THREADS environment variable to contol the number of threads used by the binaries.

Note: the executables only support OpenMP parallelism. Depending on your hardware, you may obtain substantial benefits from compiling with MPI parallelism.

source

Source code of the software (including submodules) with regression tests

Building DFTB+ from source

See the README.rst and the INSTALL.rst files for build instructions.

Most relevant changes since last release

See the CHANGELOG.rst file for the list of relevant changes since the last release.