Local fields

In this tutorial you will learn how to calculate optical spectra at the RPA level for bulk hBN including local field effects by solving the Dyson equation for Χ or X.

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Prerequisites

• You must first complete the "How to use Yambo" tutorial

You will need:

• The SAVE databases for bulk hBN
• The yambo executable
• gnuplot, for plotting spectra

Choosing input parameters

Enter the folder for bulk hBN that contains the SAVE directory, and generate the input file. From yambo -H you should understand that the correct option is yambo -o c. Let's add some command line options:

$ cd YAMBO_TUTORIALS/hBN/YAMBO
$ yambo -o c -F yambo.in_IP -J Full

This corresponds to optical properties in G-space at the independent particle level (Chimod= "IP").

Summary

From this tutorial you've learned:

• How to compute a simple optical spectrum
• How to reduce the computational load through reducing the G-vector/energy cut off and removing the Vnl term
• How to plot different components of the dielectric tensor
• How to use the -J option to neatly label and organise files and databases

Links

• Local fields
• Back to tutorials menu