(Less optimal) Alternatives to the SiestaMobile

You might not be able to use the Siesta Mobile for technical reasons, or maybe you are a knowledgeable user that is fine without it. In that case, to follow and profit from the tutorials, you are going to need:

  • A compiled version of Siesta (See the Guide to Siesta Versions).

    The tutorials can be followed with the ‘psml’ version, or (without PSML support), with the ‘master’ version. The released 4.1.X versions are also missing TD-DFT and full-SOC support.

    The 4.1.5 version can be installed with conda.

    To compile any of the other versions, you can get inspiration from this tutorial and from other material in the Siesta documentation tree.

    Note that you also need most of the utility programs in the Util directory.

  • Visualizers

    • gnuplot

    • XcrysDen

  • Extra analysis tools

    • sisl. (It can be installed with conda)

    • Andrei Postnikov’s ‘visualization’ and ‘lattice-dynamics’ packages, which can be obtained from:

  • Extra optional packages for some tutorials (as listed therein)

  • The AiiDA and aiida-siesta packages if you plan to try the AiiDA tutorials.