First steps with SIESTA: from zero to hero

CECAM Flagship School, 2nd - 6th October 2023 (online)


The school is aimed at students and researchers from different disciplines who already use, or plan to use, first-principles techniques to simulate properties of matter at the atomic scale. In particular, the school will focus on the SIESTA method [1,2]. Participants will learn its essential theoretical foundations, and how to use the SIESTA code effectively. Pre- and post-processing tools will also be presented.


The School will consist of lectures from senior SIESTA developers and hands-on sessions where SIESTA experts will be available for discussion and guidance. These sessions will take place between 12:30 CEST and 17:30 CEST.

Autonomous work on the exercises will be possible throughout the day.

UPDATE: You may find detailed information on the planned sessions and tutorials here.

Course materials

The school will make extensive use of the Siesta Project Documentation site, which will be updated with new tutorials.

The hands-on sessions will involve remotely executing pre-compiled versions of SIESTA on HPC systems located at the Barcelona Supercomputing Center. Indications on how to connect to BSC will be provided to accepted participants well in advance in order to ensure that they can install any tools they may require on their local computers.


Persons interested in registering for the School need to apply through the “Participate” tab of the CECAM school web page.

Please make sure that your CECAM account is up to date and uses your current institutional email address.

On the application form, please provide a brief statement of motivation and attach your CV.

The deadline for applications is the 4th September 2023.

We will review applications in stages and we will communicate all our acceptance decisions by email by the 8th September. The names of all the accepted participants will appear on the participants tab of the CECAM website.

Further training

This SIESTA school will include an introduction to the TranSIESTA functionality of SIESTA. After the school, the TranSIESTA (+ TBtrans + sisl) School 2023 will be held at the Technical University of Denmark (DTU) in Kongens Lyngby, Denmark, between the 13th and 17th November 2023. The tutorial will be a continuation of prior successful workshops based on https://github.com/zerothi/ts-tbt-sisl-tutorial. Please check the TranSIESTA School 2023 page for further information, including registration and a tentative program.



Queries about the school should be addressed to school-2023@siesta-project.org.


This school is supported by the Barcelona Supercomputing Center, CECAM-ES, and the MaX Centre of Excellence.


[1] José M Soler, Emilio Artacho, Julian D Gale, Alberto García, Javier Junquera, Pablo Ordejón, Daniel Sánchez-Portal: “The SIESTA method for ab initio order-N materials simulation”, Journal of Physics: Condensed Matter 14 (11), 2745-2779 (2002).

[2] Alberto García, Nick Papior, Arsalan Akhtar, Emilio Artacho, Volker Blum, Emanuele Bosoni, Pedro Brandimarte, et al: “Siesta: Recent Developments and Applications”, Journal of Chemical Physics 152 (20), 204108 (2020).