Tutorials: Difference between revisions
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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. | 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 [[lectures|background material]] in order to get familiar with the fundamental physical quantities. | |||
Two kinds of tutorials are provided: stand-alone and modular. | |||
== 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: | |||
* [[More GW]] | |||
* [[Hydrogen chain]] | |||
etc | |||
<!-- 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: | After you have downloaded the tutorial zip files and unziped them you should have now a tutorial tree: | ||
localhost:> ls | localhost:> ls | ||
YAMBO_TUTORIALS/ | YAMBO_TUTORIALS/ | ||
localhost:> ls YAMBO_TUTORIALS/ | localhost:> ls YAMBO_TUTORIALS/ | ||
COPYING Fantastic_Dimensions/ Hydrogen_Chain/ README Solid_LiF/ Solid_Al/ SiH4/ ... | 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. | 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. --> | ||
== | == 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.'''<br> | 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.'''<br> | ||
Available systems are: <code>hBN.tar.gz</code>, <code>hBN-2D.tar.gz</code>. You will need both ''hBN'' and ''hBN-2D'' tarballs. | Available systems are: <code>hBN.tar.gz</code>, <code>hBN-2D.tar.gz</code>. You will need both ''hBN'' and ''hBN-2D'' tarballs. | ||
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*[http://www.yambo-code.org/tutorials/files/hBN-2D.tar.gz hBN-2D.tar.gz] | *[http://www.yambo-code.org/tutorials/files/hBN-2D.tar.gz hBN-2D.tar.gz] | ||
<!-- [[Instructions for CECAM students]] --> | <!-- [[Instructions for CECAM students]] --> | ||
=== Modules === | |||
Alternatively, users can learn more about a specific runlevel or task by looking at the individual '''[[Modules|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. | |||
== Modules == | |||
Revision as of 21:07, 28 October 2019
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.
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:
etc
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.
Files can be found here:
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.