Two particle excitations: Difference between revisions

From The Yambo Project
Jump to navigation Jump to search
m (Myrta moved page Alt Two particle to Two particle excitations: more suggestive title)
 
(6 intermediate revisions by 2 users not shown)
Line 1: Line 1:
==This Tutorial: 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 using the Bethe-Salpeter equation 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==
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


==Tutorial modules:==
On 2D h-BN monolayer:


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

Retrieved from "https://wiki.yambo-code.eu/wiki/index.php?title=Two_particle_excitations&oldid=1070"