Siesta

The SIESTA team, in collaboration with the Catalonia Supercomputing Center (CESCA), are sponsoring a TranSiesta School. It will be held in Barcelona, Spain, from December 14th to December 16th of 2009.

In order to register and get more detailed information go to:

http://www.cesca.es/en/promocio/aula/index.html#transiestal

Check below for some general information.

Frederico D. Novaes (on behalf of the organizers).

TranSiesta School

December 14-16 2009. Barcelona. Spain.

As from the release of version 3.0b, the Siesta public package includes TranSiesta. Therefore, it is now possible for all Siesta users to perform ab initio quantum transport calculations. The proper use of this tool, however, requires specific knowledge of some additional concepts.

The purpose of this school is to give a specific introduction to the use of TranSiesta. We assume that interested participants will have some working knowledge of Siesta, both on it's practical aspects (as setting up an input file for a molecular or bulk-like system), and on some of the theoretical concepts behind it (like the use of periodic boundary conditions and strictly localized atomic orbitals).

This School will focus on the use of the non the equilibrium Green's functions formalism (NEGF), in a accessible language, and some of the technical aspects of the TranSiesta implementation. The goal is to facilitate the understanding of the general procedure of transport calculations and of the available input options. Finally, some exemplifying cases will be discussed in order to show different transport characteristics and the analysis that can be done, including hands-on sessions in front of the computer.

We hope that researchers attending the School will acquire sufficient familiarity with the code to be able perform their own calculations with confidence.

- Dr. Thomas Frederiksen
- Dr. Frederico D. Novaes
- Prof. Pablo Ordejón
- Prof. Magnus Paulsson
- Dr. José A. Torres

Language: English.

Centre de Supercomputacio de Catalunya
(CESCA). C/ Gran Capita, s/n (Ed. Annexus)
http://www.cesca.cat/en/on

For additional information contact F. D. Novaes at ts.school.09@gmail.com or the CESCA staff at promocio@cesca.cat.