Tutorials

If you are starting out with Yambo, or even an experienced user, we recommend that you complete the following tutorials before trying to use Yambo for your system.

The tutorials are meant to give some introductory background to the key concepts behind Yambo. Practical topics such as convergence are also discussed. Nonetheless, users are invited to first read and study the background material in order to get familiar with the fundamental physical quantities.

Two kinds of tutorials are provided: stand-alone and modular.

Files

In each tutorial page you will find the links to the files to download. Here is a complete list:

• hBN.tar.gz
• hBN-2D.tar.gz
• hBN-2D-para.tar.gz
• Silicon.tar.gz
• LiF.tar.gz
• Si_surface.tar.gz
• Si_wire.tar.gz
• H2.tar.gz
• Aluminum.tar.gz
• GaSb.tar.gz
• Hydrogen_Chain.tar.gz

after downloading the tar.gz files just unpack them in the same folder. For example

$ tar -xcvf hBN-2D.tar
$ tar -xcvf hBN.tar
$ ls
  YAMBO_TUTORIALS
$ ls YAMBO_TUTORIALS
  hBN-2D hBN

Stand-alone tutorials

These tutorials are self-contained and cover a variety of mixed topics, both physical and methodological. They are designed to be followed from start to finish in one page and do not require previous knowledge of yambo. Each tutorial requires download of a specific core database, and typically they cover a specific physical system (like bulk GaSb or a hydrogen chain). Ground state input files and pseudopotentials are provided. Output files are also provided for reference.

These tutorials can be accessed directly from this page of from the side bar. They include different kind of subjects:

Basic

• More GW
• Linear Response in 3D
• Linear Response in 2D
• Linear Response in 1D
• Linear Response in 0D

Advanced

• TDDFT Failure and long range correlations
• Spin-Orbit Coupling MBPT
• Real Axis and Lifetimes

Modular tutorials

These tutorials are designed to provide a deeper understanding of specific yambo tasks and runlevels. They are designed to avoid repetition of common procedures and physical concepts. As such, they make use of the same physical systems: bulk hexagonal boron nitride hBN and a hBN sheet hBN-2D. To follow the tutorials, you must first download or copy data files for each system. Files are distributed as gzipped tarballs. Always extract the tarballs in the same place.
Available systems are: hBN.tar.gz, hBN-2D.tar.gz. You will need both hBN and hBN-2D tarballs.

Introduction

• First steps: a walk through from DFT to optical properties

Quasiparticles in the GW approximation

• How to obtain the quasi-particle band structure of a bulk material: h-BN

Using Yambo in Parallel

• Parallel GW: strategies for running Yambo in parallel
• GW convergence: use Yambo in parallel to converge a GW calculation for a layer of hBN (hBN-2D)

Excitons and the Bethe-Salpeter Equation

• Calculating optical spectra including excitonic effects: a step-by-step guide
• Obtaining a converged optical spectrum
• Many-body effects in low-dimensional systems: numerical issues and remedies
• Analysis of excitonic spectra in a 2D material

Yambo-python driver

• First steps in Yambopy
• GW tutorial. Convergence and approximations (BN)
• Bethe-Salpeter equation tutorial. Optical absorption (BN)

Modules

Alternatively, users can learn more about a specific runlevel or task by looking at the individual documentation modules. These provide a focus on the input parameters, run time behaviour, and underlying physics. Although they can be followed separately, non-experts are urged to follow them as part of the more structured tutorials given above.