BSE hBN Yambo Virtual 2021 version: Difference between revisions
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We will use bulk hBN as an example system. Before starting, you need to obtain the appropriate tarball. See instructions on the [[Tutorials|main tutorials page]]. <br> | We will use bulk hBN as an example system. Before starting, you need to obtain the appropriate tarball. See instructions on the [[Tutorials|main tutorials page]]. <br> | ||
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. | 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. | ||
__TOC__ | |||
=== Part 1: A step-by-step BSE calculation from start to finish === | |||
=== Part 2: Analysis of the results (post-processing) === | |||
=== Part 3: Which solver should be used for my system? === | |||
=== Part 4: Numerical convergence of BSE calculations === | |||
Revision as of 09:13, 16 March 2021
This is a modified version of the tutorial prepared for the Yambo 2021 virtual school.
In this tutorial you will learn how to:
- Perform a Bethe-Salpeter calculation from beginning to end.
- Analyse your results (optical absorption spectra, exciton wavefunctions, etc.)
- Solve the BSE eigenvalue problem with different numerical methods
- Choose the input parameters for a meaningful converged calculation
We will use bulk hBN as an example system. Before starting, you need to obtain the appropriate 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.