Tutorials: Difference between revisions
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[[Instructions for CECAM students]] | [[Instructions for CECAM students]] | ||
== Full tutorials == | == Full tutorials == | ||
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Each tutorial is fairly standalone, although some require that you have completed previous ones. | Each tutorial is fairly standalone, although some require that you have completed previous ones. | ||
==== | ====Introduction==== | ||
* [[First steps: a walk through from DFT to optical properties]] | * [[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]] | * [[How to obtain the quasi-particle band structure of a bulk material: h-BN]] | ||
==== | ====Using Yambo in Parallel==== | ||
* [[GW_parallel_strategies|Parallel GW]]: strategies for running Yambo in parallel | * [[GW_parallel_strategies|Parallel GW]]: strategies for running Yambo in parallel | ||
* [[Pushing_convergence_in_parallel|GW convergence]]: use Yambo in parallel to converge a GW calculation for a layer of hBN (hBN-2D) | * [[Pushing_convergence_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==== | ||
* [[How to obtain an optical spectrum|Calculating optical spectra including excitonic effects: a step-by-step guide]] | * [[How to obtain an optical spectrum|Calculating optical spectra including excitonic effects: a step-by-step guide]] | ||
* [[How to choose the input parameters|Obtaining a converged optical spectrum]] | * [[How to choose the input parameters|Obtaining a converged optical spectrum]] | ||
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<!--* [[Two particle excitations]] (try to bypass this page) : Learn how to set up and run calculations to obtain and analyze an optical absorption spectrum of bulk and low dimension materials by using the Bethe-Salpeter equation--> | <!--* [[Two particle excitations]] (try to bypass this page) : Learn how to set up and run calculations to obtain and analyze an optical absorption spectrum of bulk and low dimension materials by using the Bethe-Salpeter equation--> | ||
==== | ====Yambo-python driver==== | ||
* [[First steps in Yambopy]] | * [[First steps in Yambopy]] | ||
* [[GW tutorial. Convergence and approximations (BN)]] | * [[GW tutorial. Convergence and approximations (BN)]] | ||
Revision as of 13:17, 2 May 2017
Tutorial files
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.
Instructions for CECAM students
Full 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. Each tutorial is fairly standalone, although some require that you have completed previous ones.
Introduction
Quasiparticles in the GW approximation
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
An alternative way to learn Yambo is through a more detailed look at our documentation modules. These provide a focus on the input parameters, run time behaviour, and underlying physics behind each yambo task or runlevel. Although they can be followed separately, they are better followed as part of the more structured tutorials given above.