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Schools

SIESTA Tutorial

June 16, 2014 to June 19, 2014
Location : University of Zaragoza, Spain

Organisers

  • Emilio Artacho (Cavendish Laboratory, University of Cambridge, United Kingdom)
  • Alberto Garcia (Institute of Materials Science, Barcelona, Spain)

Supports

   CECAM

Description

(Tutorial website: http://www.icmab.es/siesta/zcam14)

This is a four-day hands-on tutorial on the use of the SIESTA code (http://www.icmab.es/siesta), aimed at students and researchers from different disciplines who already use, or plan to use, SIESTA in their work and who would like to understand its essential foundations and to learn how to apply the code effectively.

Apart from the consideration of standard tasks implemented in most ab-initio codes, such as how to calculate the electronic (band) structure, perform structure (geometry) relaxation, calculate lattice vibrations or run molecular dynamics simulations, the specific SIESTA topics to be covered include the generation and use of pseudopotentials, the construction of basis sets of strictly localized numerical atomic orbitals, and basic notions about the efficient computation of the matrix elements with linear scaling methods and the role the real-space grid.

The tutorial will consist of morning lectures followed in the afternoon by practical "hands-on" sessions. Some basic knowledge of quantum mechanics, solid-state physics, and statistical physics will be assumed, along with basic knowledge of UNIX.

Please note that the level of this school is basic-intermediate, and just a few advanced topics will be covered. Hence, people with moderate experience using SIESTA would probably profit more from one of the specialized topical schools that we occasionally offer.

In this connection, note that another SIESTA Tutorial, including a introduction to TranSiesta, will be held in Tel Aviv from 8 to 11 September 2014.  (For more details, see: http://www6.tau.ac.il/cecam/index.php/events/eventdetail/9/-/local-cecam-tutorial-siesta-and-transiesta)