In this section, we present the tutorials that describe all the capabilities of the PERTURBO code for a variety of materials. We focus on bulk silicon as a test case for the majority of calculation modes. When Si is not the best test case for a given tutorial, we will switch to another material.

We provide two repositories for the tutorials:

We recommend users to download the input files from the perturbo-examples-light repository and then follow the steps of the tutorials. In case of a problem at some stage, the user can download the output from the perturbo-examples-full repository. Therefore, the large perturbo-examples-full repository is only for the occasional use.

In the tutorail text, we specify the path for a given tutorial section in the following way:

The path is the same for the -light and -full repositories. We also provide a link to a given folder in the -full repository. The output files can be found in the References folder.

## Organization of tutorials

In the tutorial, we first demostrate how to interface Quantum Espresso and Wannier90 with PERTURBO, in particular, how to generate the so-called ‘prefix’_epwan.h5 HDF5 file (using the qe2pert.x executable), which will be later read by the main executable of PERTURBO (perturbo.x). This is done in the Quantum Espresso to Perturbo section and example01-silicon-qe2pert folder.

Next, we demonstrate the main PERTURBO capabilities:

This is done in the example02-silicon-perturbo tutorial folder.

Finally, we provide the examples qe2pert.x step and and for some of the calculation modes of perturbo.x for other systems: Si with SOC, GaAs, graphene, and aluminum. This examples can be found in the example03-…example06-… tutorial folders.