Difference between revisions of "Two particle excitations"

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==This Tutorial module: what will you learn==
==This Tutorial: what will you learn==
Starting from DFT and GW calculations you will learn how to set up and run calculations to obtain and analyze an optical absorption spectrum for both bulk and low dimensional materials.
You will learn how to set up and run calculations to get optical absorption spectrum by using the Bethe-Salpeter equation starting from a previously calculated electronic structure.
In addition you will learn to use post-processing tools to analyze the excitons and special numerical treatment needed for low dimensional materials.


- The first part of the tutorial guides you through the workflow of calculations.
==Before starting: what do you need==
- If you are not familiar with the Bethe-Salpeter equation and/or optical response in periodic systems, you are encouraged to ADD BACKGROUND MATERIAL LINKS


- The second part explains how to choose the relevant input parameters by studying the convergence of the results.
- We suppose you know already how to generate the Yambo databases and familiar with the input, output and command line interface‎‎.


For these first two parts we will use as example the bulk h-BN. The rest of the tutorial instead is focused on the h-BN monolayer.  
- In the Bethe-Salpeter equation the quasiparticle energies are used, we then recommend to complete the GW tutorial even though not strictly needed.


- The third part looks at different set ups when treating low dimensional materials
==Tutorial modules:==


- The fourth part regards the analysis and visualization of the excitons
This tutorial consists in four parts:


==Before starting: what do you need to know==
On bulk h-BN:


* [[How to obtain an optical spectrum]] - a guide through the workflow of calculations
* [[How to choose the input parameters]] - relevant input parameters you need to determine by convergence studies


On 2D h-BN monolayer:


 
* [[How to treat low dimensional systems]] - numerical issues and remedies for low dimensional systems
* [[How to obtain an optical spectrum]]
* [[How to analyse  excitons]] - analysis and visualization of the excitons
* [[How to choose the input parameters]]
* [[How to treat low dimensional systems]]
* [[How to plot an exciton function]]

Latest revision as of 13:30, 31 March 2017

This Tutorial: what will you learn

You will learn how to set up and run calculations to get optical absorption spectrum by using the Bethe-Salpeter equation starting from a previously calculated electronic structure. In addition you will learn to use post-processing tools to analyze the excitons and special numerical treatment needed for low dimensional materials.

Before starting: what do you need

- If you are not familiar with the Bethe-Salpeter equation and/or optical response in periodic systems, you are encouraged to ADD BACKGROUND MATERIAL LINKS

- We suppose you know already how to generate the Yambo databases and familiar with the input, output and command line interface‎‎.

- In the Bethe-Salpeter equation the quasiparticle energies are used, we then recommend to complete the GW tutorial even though not strictly needed.

Tutorial modules:

This tutorial consists in four parts:

On bulk h-BN:

On 2D h-BN monolayer:

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