Two particle excitations

This Tutorial module: 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.

- The first part of the tutorial guides you through the workflow of calculations.

- The second part explains how to choose the relevant input parameters by studying the convergence of the results.

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.

- The third part looks at different set ups when treating low dimensional materials

- The fourth part regards the analysis and visualization of the excitons

Before starting: what do you need

• How to obtain an optical spectrum
• How to choose the input parameters
• How to treat low dimensional systems
• How to plot an exciton function