Dear Jose Torres,
I'm very interested in this course and I have just send the register form.
I have seen you suggest to bring our laptop with linux as preferably
operative system.
Is it necessary to have installed in it the SIESTA code?
Best Regards,
Emma del Rio
At 14:49 24/04/2009 +0100, you wrote:
The SIESTA Team together with the Catalonia
Supercomputing Center(CESCA), are sponsoring a
School of SIESTA to be held from May 19th
to May 22nd of 2009 in Barcelona.
For the first time in a SIESTA Course, we
will introduce our SIESTA version 3.0 (not
released yet) which includes the ability
to compute Quantum Electron Transport,
among other good new features.
There is a limited number of places (50),
so if you are interested please register soon!
For more details see the information below,
Yours
The SIESTA Team
=====
Announcement: Introductory course of SIESTA.
Sponsored by: SIESTA and Centre de Supercomputacio de Catalunya (CESCA)
Conveyed by: The SIESTA Team.
---
SIESTA Course. Introductory.
============================
* Scope:
Basic theoretical introduction combined
with practice sessions. Including:
- The theory behind SIESTA: DFT,
Quantum transport.
- Hands-on practical sessions:
Basic set up, computation and analysis
techniques with SIESTA.
* Intended audience:
People with knowledge of quantum
mechanics, some notions of basic solid
state physics, and good ability with
computer data handling.
* Conveyed by: The SIESTA Team.
SUMMARY OF CONTENTS
===================
Topics covered include:
* The theory behind SIESTA:
- From basic Quantum Mechanics, to Atomic, to Solid State
Physics
- Basic Density Functional Theory, the Self Consistent Field Loop.
- Quantum Conduction through molecular scale contacts.
* The SIESTA Method:
- The SIESTA basis sets.
- Order-N.
- Applicability of the method.
* Hands-on practical sessions. Basic techniques with SIESTA:
* Setting up systems (choosing the theoretical model
and the configuration):
- Setting up different configurations:
- Molecules,
- Chains,
- Slabs,
- Bulks,
- Open systems.
- Choosing the theoretical model framework (exchange
and correlation functional, computing and using
pseudopotentials, ... )
* Setting up computation-related parameters:
- Convergence related general parameters.
- Parameters that affect the computation accuracy for
molecules, periodic, and open systems.
- Tuning parameters that can speed up convergence.
* Analyzing the output: Numerically and graphically.
- Energies,
- Forces,
- Electronic density,
- Conductance and transmission spectrum,
- Mulliken populations,
- Magnetic polarization,
- Electrical dipole,
- Band structures,
- ...
PRACTICAL INFORMATION
======================
- Dates: From the 19th to the 22nd of May 2009
- Place: Centre de Supercomputacio de Catalunya
(CESCA). C/ Gran Capita, s/n (Ed. Annexus)
http://www.cesca.cat/en/on
- Registration Fee: 75 Eur (VAT included. Includes
course material: Folders, pen-drive with
software and all course-related files, coffee
breaks. Does not include accommodation).
- Suggested to bring your laptop: Minimum system
requirements: 1 GB of RAM, OS: Linux,
WindowsXP or Mac (preferably Linux).
- Registration: http://www.cesca.cat/siesta
- Information:
promo...@cesca.cat , +34-932056464
sie...@uam.es ,
+34-914973805
--------------------------------------------------------------------------
Mensaje enviado mediante una herramienta Webmail integrada en *El Rincon*:
------------->>>>>>>> https://rincon.uam.es <<<<<<<<--------------
Dra. Emma del Río Redondo
Instituto de Fusión Nuclear
Universidad Politécnica
E.T.S. Ingenieros Industriales
c/José Gutiérrez Abascal, 2
28006 Madrid
España
