https://github.com/zerothi/ts-tbt-sisl-tutorial

Tutorials for the sisl-TBtrans-TranSiesta suite
https://github.com/zerothi/ts-tbt-sisl-tutorial

negf sisl transiesta tutorial

Last synced: 2 months ago
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Tutorials for the sisl-TBtrans-TranSiesta suite

• Host: GitHub
• URL: https://github.com/zerothi/ts-tbt-sisl-tutorial
• Owner: zerothi
• License: cc-by-sa-4.0
• Created: 2017-06-13T16:28:33.000Z (about 8 years ago)
• Default Branch: main
• Last Pushed: 2024-11-12T08:02:25.000Z (7 months ago)
• Last Synced: 2025-04-14T17:16:41.685Z (2 months ago)
• Topics: negf, sisl, transiesta, tutorial
• Language: Jupyter Notebook
• Homepage:
• Size: 22.7 MB
• Stars: 41
• Watchers: 9
• Forks: 31
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
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Welcome to sisl + TBtrans + TranSiesta tutorial

===============================================

This is the tutorial used for sisl + TBtrans + TranSiesta workshops.

The sources used for these tutorials can be found elsewhere:

- [sisl][sisl@git] (>= 0.14.3)

- [TBtrans][tbtrans] (>= 4.1.5)

- [Siesta][tbtrans] (>= 4.1.5)

If you have installed using the installation script you will have access

to MPI parallelized executables.

Binder

------

This tutorial may be runned using [Binder](https://mybinder.readthedocs.io/en/latest/).

Note that we highly recommend using a local Conda installation since that is much

more versatile and since this tutorial requires lots of text-editing which is hard

to do in a Jupyter notebook.

However, if you want to play around you may do so, for a good experience you are

recommended to execute tbtrans like this:

    !OMP_NUM_THREADS=1 tbtrans RUN.fdf

since the installed `tbtrans` is threaded and binder is sharing resources.

License

-------

sisl © 2020 by Nick Papior is licensed under CC BY-SA 4.0. To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/4.0/

[sisl@git]: https://github.com/zerothi/sisl

[tbtrans]: https://gitlab.com/siesta-project/siesta