BSE hBN Yambo Virtual 2021 version: Difference between revisions
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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. | ||
==Contents== | |||
In this tutorial you will learn how to: | In this tutorial you will learn how to: | ||
# [[Calculating optical spectra including excitonic effects: a step-by-step guide|Perform a Bethe-Salpeter calculation from beginning to end]] | # [[Calculating optical spectra including excitonic effects: a step-by-step guide|Perform a Bethe-Salpeter calculation from beginning to end]] | ||
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# [[BSE solvers overview|Solve the BSE eigenvalue problem with different numerical methods]] | # [[BSE solvers overview|Solve the BSE eigenvalue problem with different numerical methods]] | ||
# [[How to choose the input parameters|Choose the input parameters for a meaningful converged calculation]] | # [[How to choose the input parameters|Choose the input parameters for a meaningful converged calculation]] | ||
==Links== | |||
* Back to [[CECAM VIRTUAL 2021]] | |||
* [[Modules|Back to technical modules menu]] | |||
* [[Tutorials|Back to tutorials menu]] | |||
Revision as of 13:14, 25 March 2021
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. 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