Basic install

First make sure Spglib is installed

pip install spglib

Then install T4ME by executing the command

pip install T4ME

This will give the user the posibility to calculate the transport coefficients using integration routines in SciPy. For other integration and interpolation routines the user needs to follow the following recipe.

Advanced install

For more advanced functionality (interpolation and other integration routines) the user should determine which external libraries are needed and install them based on their respective documentation. Please also fetch the repository from github and work from its base directory when executing the following commands.

The file assume in its supplied form that the user installs the libraries in the standard folders, e.g. $HOME/include and $HOME/lib for the include and library files, respectively. If other locations are needed, please adapt the file.

As an example, we want to enable the tetrahedron integration. A Spglib interface needs to be compiled. This can be build with the included build_spglib file.


If that was successfull, T4ME can then be built by issuing the following command

pip install .


pip install -e .[dev]

Another example. We want to enable SKW interpolation. The SKW routines can be built (assuming Intel MKL is installed) by issuing


If successfull, T4ME can then be installed by issuing one of the two commands listed above. If other FFT routines are to be used, please modify skw/Makefile.

All other libraries need to be built externally and linked in.

Upon successfull completion of the installation, T4ME is executed with the command


An input directory is needed which should contain the input files.