nityasagarjena / ts-tbt-sisl-tutorial

Tutorials for the sisl-TBtrans-TranSiesta suite

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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:

Binder

This tutorial may be runned using Binder. 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.

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Tutorials for the sisl-TBtrans-TranSiesta suite

License:GNU General Public License v3.0


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