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:
- 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.
- Some internals of the SIESTA method (part 1)
[slides,
video (18 mins)],
by Jose M. Soler (Universidad Autónoma de Madrid).
- Some internals of the SIESTA method (part 2)
[slides,
video (19 mins)],
by Jose M. Soler (Universidad Autónoma de Madrid).
- The pseudopotential concept
[slides,
video (16 mins)],
by Alberto García (ICMAB-CSIC).
- Basis sets for SIESTA: I. Non-orthogonal representations and LCAO
[slides,
video (14 mins)],
by Emilio Artacho (Nanogune, Ikerbasque, DIPC and University of Cambridge).
- 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).
- 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.
- SIESTA postprocessing: an overview
[slides,
video (16 mins)],
by Pol Febrer (ICN2).
- Post-processing tools for SIESTA crystal structure, vibrations and grid properties
[slides,
video (19 mins)],
by Andrei Postnikov (Université de Lorraine).
- Post-processing tools for analysis of lattice dynamics following SIESTA+Vibra calculation
[slides,
video (16 mins)],
by Andrei Postnikov (Université de Lorraine).
- Spin-Orbit Coupling
[slides,
video (10 mins)],
by Ramón Cuadrado (University of Southampton).
- Introduction to Wannierization
[slides,
video (16 mins)],
by Javier Junquera (Universidad de Cantabria).
- Introduction to TDDFT
[slides,
video (21 mins)],
by Miguel Pruneda (ICN2).
- 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.
- SIESTA Compilation Options
[slides,
video (21 mins)],
by Yann Pouillon (Simune Atomistics).
- SIESTA Deployment Options
[slides,
video (12 mins)],
by Vladimir Dikan (ICMAB-CSIC).
- The AiiDA-SIESTA plugin
[slides,
video (16 mins)],
by Emanuele Bosoni (ICMAB-CSIC).