Setting up the local working environment for the tutorial exercises

In order to get the files for these tutorials, you first need to clone this same documentation repository:

git clone

Afterwards execute the following:

cd siesta-docs
cd work-files

All needed files will now be under the work-files directory.

Compiling SIESTA

In case you need to compile your own version of SIESTA, check out this how-to section.

Additional things to download or install later

Some items are not included in the standard SIESTA distribution for both technical and licensing reasons. Examples include:

  • Extra programs

    The programs to process the PDOS/PDOS.xml files can be obtained and compiled very easily. See this how-to.

  • The FLOS library

    This is needed for the simulation code implemented in Lua (e.g. NEB, new relaxation algorithms, etc). It is easily installed following the instructions in this how-to.

  • Other tutorial-specific material (such as extra packages and potentially large data files).

If needed, each tutorial will provide information about any additional material needed.


Should you want to build your own version of this documentation for offline reading, you can do so using the files above (siesta-docs), minding the depedencies with ReadTheDocs Sphinx theme.