Tutorials: Difference between revisions
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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==== | |||
* [[Using Yambo in parallel|Running Yambo in a parallel environment]] | * [[Using Yambo in parallel|Running Yambo in a parallel environment]] | ||
====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]] | ||
* [[How to treat low dimensional systems|Many-body effects in low-dimensional systems: numerical issues and remedies]] | * [[How to treat low dimensional systems|Many-body effects in low-dimensional systems: numerical issues and remedies]] | ||
* [[How to analyse excitons|Analysis of excitonic spectra in a 2D material]] | * [[How to analyse excitons|Analysis of excitonic spectra in a 2D material]] | ||
* [[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==== | |||
* [http://yambopy.readthedocs.io/en/devel/tutorial.html Efficient many body calculations with the Yambo-python tool] | * [http://yambopy.readthedocs.io/en/devel/tutorial.html Efficient many body calculations with the Yambo-python tool] | ||
<!--* [[How to obtain the absorption spectrum of a bulk material: h-BN]] - this would basically be a list of links of particular modules --> | <!--* [[How to obtain the absorption spectrum of a bulk material: h-BN]] - this would basically be a list of links of particular modules --> | ||
Revision as of 10:24, 3 April 2017
Tutorial files
To follow the tutorials, you must first download or copy data files for each system from:
- CECAM students:
$ cp /tutoadmin/ etc
- Download: from [this link]
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
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
- 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
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. The modules are grouped as follows:
- Generating the Yambo databases
- How to use Yambo
- Tricks for low dimensional systems
- Linear response and screening
- Quasiparticle properties
- Two-particle excitations
Other stuff and old stuff
- Parallelization
- Yambopy
- GW (quick port just for demo purposes)
- Parallelization (quick port just for demo purposes)