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 (>= 0.14.3)
• TBtrans (>= 4.1.5)
• Siesta (>= 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. 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/