SIESTA School 2021: Lectures

In this page you will find the list of lectures of the CECAM Flagship school "First-principles simulations of materials with SIESTA". It is a combination of new recordings uploaded to the SIESTA Project YouTube channel and a few fragments of a recent webinar given in the context of the MaX Centre of Excellence.

On Monday 21st June we released the first seven lectures, with a total duration of 2h:

• If you are new to SIESTA we strongly recommend that you watch all these lectures, in the suggested order. You will need a reasonable understanding of these lectures in order to follow the tutorials next week.
• If you are an experienced SIESTA user, you may also find valuable, up to date information in this first batch of lectures.

On Thursday 24th June we released lectures 8 to 12, with a total duration of 1h15min. These lectures introduce a range of postprocessing tools, as well as some intermediate/advanced functionalities that may be of interest to all the students.

Finally, on Saturday 26th June we released lectures 13 to 17, with a total duration of 1h30min. The topics of these lectures are: advanced functionalities of SIESTA (TDDFT, transport), the compilation and deployment of SIESTA, and its use in high throughput simulations with AiiDA.

List of lectures:

1. Introduction to SIESTA [slides, video (19 mins)], by Emilio Artacho (Nanogune, Ikerbasque, DIPC and University of Cambridge). Please watch the first 19 minutes of this recent webinar.
2. Some internals of the SIESTA method (part 1) [slides, video (18 mins)], by Jose M. Soler (Universidad Autónoma de Madrid).
3. Some internals of the SIESTA method (part 2) [slides, video (19 mins)], by Jose M. Soler (Universidad Autónoma de Madrid).
4. The pseudopotential concept [slides, video (16 mins)], by Alberto García (ICMAB-CSIC).
5. Basis sets for SIESTA: I. Non-orthogonal representations and LCAO [slides, video (14 mins)], by Emilio Artacho (Nanogune, Ikerbasque, DIPC and University of Cambridge).
6. Basis sets for SIESTA: II. Finite support numerical bases used in SIESTA [slides, video (18 mins)], by Emilio Artacho (Nanogune, Ikerbasque, DIPC and University of Cambridge).
7. Electronic-Structure solvers in SIESTA: features and performance [slides, video (16 mins)], by Alberto García (ICMAB-CSIC). Please watch the second talk of this recent webinar.
8. SIESTA postprocessing: an overview [slides, video (16 mins)], by Pol Febrer (ICN2).
9. Post-processing tools for SIESTA crystal structure, vibrations and grid properties [slides, video (19 mins)], by Andrei Postnikov (Université de Lorraine).
10. Post-processing tools for analysis of lattice dynamics following SIESTA+Vibra calculation [slides, video (16 mins)], by Andrei Postnikov (Université de Lorraine).
11. Spin-Orbit Coupling [slides, video (10 mins)], by Ramón Cuadrado (University of Southampton).
12. Introduction to Wannierization [slides, video (16 mins)], by Javier Junquera (Universidad de Cantabria).
13. Introduction to TDDFT [slides, video (21 mins)], by Miguel Pruneda (ICN2).
14. Overview of the TranSIESTA module for transport simulations [slides, video (16 mins)], by Pablo Ordejón (ICN2). Please watch the third talk of this recent webinar.
15. SIESTA Compilation Options [slides, video (21 mins)], by Yann Pouillon (Simune Atomistics).
16. SIESTA Deployment Options [slides, video (12 mins)], by Vladimir Dikan (ICMAB-CSIC).
17. The AiiDA-SIESTA plugin [slides, video (16 mins)], by Emanuele Bosoni (ICMAB-CSIC).