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Lausanne 2017Version 4 out and rockingYambo-pyFLASH-IT

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The Wikipedia Page of Yambo Yambo@Wiki

Fortran cafe The Fortran Cafe'

Bethe-Salpeter wine The Bethe-Salpeter-Equation (BSE) wine

A street entitled to Yambo in Rome
A bar entitled to Yambo in Rome
A bar entitled to Yambo in Rome Yambo road, bar & restaurant

Lectures (relative to the tutorials)

Yambo step by step
Lanczos
Real-axis GW (1)
Real-axis GW (2)

Yambo, up to version 3.3.2

Lanczos

Yambo, from version 3.4.0

LRR
El-Ph

For the theoretical lectures relative to the subjects discussed in the tutorials have a look at the Lecture Notes page.

Tutorials

Getting started

The tutorials listed below are meant to give some introductive background to the key concepts connected to the use of the Yambo code. Basic concepts like convergence of the calculations are also discussed. Still, the users are invited to read and study the pertinent documentation in order to get used to the most foundamental Physical quantities.

Some of the tutorials are provided with the yambo input files. Also the output of the calculations are given to be used as a reference. For all systems the ground state input files (Abinit and/or PWscf) and pseudopotentials are provided.

For each TUTORIAL (Solid_LiF, Solid_Al, ...) , therefore, you can download the ground state files (zip archive named TUTORIAL_ground_state.zip) and generate the Yambo databases from your own by running abinit/PWscf and a2y/p2y. In this case the Yambo input and reference files are contained in the zip file (TUTORIAL_reference_files.zip). Alternatively, if (and only if) you have compiled yambo with the NetCDF support you can directly download the zip files containing the Yambo core databases (TUTORIAL_NETCDF_databases_and_reference_files.zip). These are generated using the NetCDF interface in order to be readable in any platform.

After you have downloaded the tutorial zip files and unziped them you should have now a tutorial tree:

localhost:> ls 
YAMBO_TUTORIALS/

localhost:> ls  YAMBO_TUTORIALS/
COPYING  Fantastic_Dimensions/  Hydrogen_Chain/  README  Solid_LiF/ Solid_Al/ SiH4/ ...

In each folder you will find an Abinit or Pwscf subfolder in case you have downloaded the ground state zip files and the YAMBO subfolder. The tutorials start by entering the YAMBO subfolder and followinf the informations provided in the tutorial documentation.

Tutorial files and documentations

In the table below all tutorials are listed with a short description and the list of available files. Download the file you prefer with the tutorial files and, then, click on the picture on the left to start the tutorial.

  • diamond
    Keywords: GW, Plasmon-Pole approximation, COHSEX
    Description: In this tutorial the basic concepts of the GW method are illustrated.

    YAMBO CORE DATABASES and REFERENCE files (suggested): download.
  • diamond
    Keywords: GW, Lifetimes in metals, Real-Axis self-energy (no Plasmon-Pole approximation), Spectral Functions
    Description: In this tutorial the electronic lifetimes of bulk Al are calculated in the GW approximation. Also, the Plasmon-Pole approximation is compared with the real-axis integration in solid LiF. Also the electronic spectral functions are calculated.

    GROUND STATE files [Al bulk] (optional): download.
    GROUND STATE files [LiF bulk] (optional): download.
    YAMBO CORE DATABASES and REFERENCE files [Al bulk] (suggested): download.
    YAMBO CORE DATABASES and REFERENCE files [LiF bulk] (suggested): download.
  • SiH4
    Keywords: Optical Properties, Time-Dependent Density-Functional Theory, ALDA, Excitons, Bethe-Salpeter Equation
    Description: In this tutorial the optical properties of an isolated SiH4 molecule are calculated by using different theoretical schemes.

    GROUND STATE files (optional): download.
    YAMBO CORE DATABASES and REFERENCE files (suggested) (27Mb): download.
  • TDDFT & BSE
    Keywords: Optical Properties, Time-Dependent Density-Functional Theory, ALDA, Excitons, Bethe-Salpeter Equation
    Description: In this tutorial the optical properties of 0D, 1D, 2D and 3D materials are calculated by using different theoretical schemes.


    GROUND STATE files (optional): download.
    YAMBO CORE DATABASES and REFERENCE files (suggested) (110Mb): download.
  • LiF: excitons at work
    Keywords: Optical Properties, Excitons, Bethe-Salpeter Equation
    Description: In this tutorial the optical properties of solid LiF are calculated by using the Bethe-Salpeter equation.


    GROUND STATE files (optional): download.
    YAMBO CORE DATABASES and REFERENCE files (suggested): download.

  • Keywords: Optical Properties, Time-Dependent Density-Functional Theory, ALDA, Excitons, Bethe-Salpeter Equation
    Description: In this tutorial the reasons for the failure of the ALDA in semiconductive materials is investigated by using the Bethe-Salpeter equation.


    GROUND STATE files (optional): download.
    YAMBO CORE DATABASES and REFERENCE files (suggested) (242Mb): download.

  • Electron-Phonon effects in seminconductors: the band-gap and absorption spectrum of Silicon and Diamond

    Keywords: Spectral Functions, Electron-Phonon, Finite Temperature, Absorption spectrum
    Description: In this tutorial the zero and finite temperature gap renormalization and absorption spectra of bulk silicon and diamond due to the electron-phonon interaction is described.

    YAMBO CORE DATABASES and REFERENCE files (suggested) (32Mb): download.

  • Keywords: Magneto-optics, Kerr, Spin-Orbit
    Description: In this tutorial the magneto-optical kerr effect of bulk iron is computed.


    GROUND STATE files (optional): download.
    REFERENCE files : download.
    YAMBO CORE DATABASES and REFERENCE files (suggested) (99 Mb): download.

  • Keywords: Surfaces, RAS, HREELS, reflectivity, loss function
    Description: In this tutorial the basic strategy for computing RAS and REELS spectra of semiconductor surfaces is outlined.


    GROUND STATE files (optional): download.
    REFERENCE files : download.
    YAMBO CORE DATABASES and REFERENCE files (suggested) (71 Mb): download.

  • Keywords: GaSb, GW, BSE, spin-orbit coupling (SOC)
    Description: In this tutorial we show the effect of spin-orbit on GW and BSE calculations.


    GROUND STATE files (optional, not yet available)
    REFERENCE files (not yet available)
    YAMBO CORE DATABASES and REFERENCE files (suggested) (54 Mb): download.

  • Keywords: Parallel environment, GW, TransPolyacetylene
    Description: In this tutorial we show how to set up the input variable controlling the parallelization strategy for a GW calcualtion in the TransPolyacetylene polymer.


    GROUND STATE files (optional, not yet available)
    REFERENCE files (not yet available)
    YAMBO CORE DATABASES and REFERENCE files (suggested) (78 Mb): download.

  • Developing Yambo
    Keywords: Code development
    Description: In this tutorial a simple extension of the Yambo code is described.