BSE hBN Yambo Virtual 2021 version

This is a modified version of the standard tutorial prepared for the Yambo 2021 virtual school.

We are going to compute optical absorption spectra when strong excitonic effects are present via the Bethe-Salpeter equation.

We will use bulk hBN as an example system. Before starting, you need to obtain the appropriate tarball: hBN.tar.gz. For the last part of the convergence tutorial (step 4.), you will also need the hBN-convergence-kpoints.tar.gz tarball. See instructions on the main tutorials page.
We strongly recommend that you first complete the First steps: a walk through from DFT to optical properties and GW hBN Yambo Virtual 2021 version tutorials.

Contents

In this tutorial you will learn how to:

1. Perform a Bethe-Salpeter calculation from beginning to end
2. Analyse your results (exciton wavefunctions in real and reciprocal space, etc.)
3. Solve the BSE eigenvalue problem with different numerical methods
4. Choose the input parameters for a meaningful converged calculation

Links

• Back to CECAM VIRTUAL 2021
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