BSE hBN Yambo Virtual 2021 version
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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:
- Perform a Bethe-Salpeter calculation from beginning to end
- Analyse your results (exciton wavefunctions in real and reciprocal space, etc.)
- Solve the BSE eigenvalue problem with different numerical methods
- Choose the input parameters for a meaningful converged calculation