DIPC tutorial: "Efficient density functional calculations: hands-on tutorial on the SIESTA code"

Workshops

When

2007/11/20 - 2007/11/23

Place

Donostia International Physics Center

Organizers

Daniel Sánchez Portal and Andrés Arnau

Add to calendar

iCal

Following the very successful tutorial that took place in CECAM (Lyon) on June 2007 (http://www.cecam.org/index.php?content=activities/pastTutorials), and taken into account that due to restrictions imposed by the European funds used to organize that event many researches could not attend, we are organizing a hands-on tutorial on the use of the SIESTA program in Donostia-San Sebastian.

This is a four-day hands-on tutorial on the use of the Siesta code, aimed at researchers from different disciplines who want to use the code in their research and need, apart from basic practice, a grounding on the capabilities of the method and the approximations used. The main goal is that the students understand the physical and main technical approximations behind the method and can assess its reliability and its usefulness for a particular problem. Apart from the basics of density-functional theory, molecular dynamics simulation and geometry relaxation, which are common to most codes, the specific Siesta topics to be covered are the generation and use of pseudopotentials, the construction of basis sets of strictly localized numerical atomic orbitals, localization issues for linear scaling both in the computation of the matrix elements and in the resolution of the hamiltonian, as well as more technical ones such as the influence of the real-space grid and parallelization. The tutorial will consist of morning lectures followed in the afternoon by a practical "hands-on" session. Some fundamental knowledge of quantum mechanics will be assumed, as well as basic statistical mechanics for the molecular dynamics part. Some solid state physics background will be helpful but not strictly needed. Basic knowledge of UNIX is required.

Talks dealing with the basic theory and methodology behind density functional ab initio calculations and the peculiarities of the SIESTA code will take place in the mornings at DIPC. The hands-on sessions will take place in the afternoons in the computer rooms of the Chemistry building and will try to show how to use the code and its different capabilities with reallistic examples.

Tutorial dates and venue

The course "Efficient density functional calculations: hands-on tutorial on the SIESTA code" will take place at the Donostia International Physics Center (DIPC) and the Chemistry Faculty of the University of the Basque Country in San Sebastian, in November 20 -23. There will be no-fee to participate in the tutorial, the event being sponsored by the DIPC. Participants have to reserve and pay  their acommodation by themselves.  Information about accommodation nearby the DIPC will be posted soon.

Those who are interested in the course should send their applications using this web site as soon as possible since the number of participants is limited to ~40 people. Applications will be considered in a first-come-first-served basis. orial will take place at the Donostia International Physics Center located at the campus of the University of the Basque Country UPV/EHU in San Sebastián on November 20-23, 2007.

Donostia-San Sebastián is located in the northeast of the Spanish Basque Country: 110 km from Bilbao, 500 km from Madrid, and 800 km from Paris. This charming medium-size city is set in a picturesque countryside, on the edge of the Biscay Gulf and surrounded by mountains. You can find information about the city and the Basque Country, respectively, at:

http://www.sansebastianturismo.com (Spanish, English, French)
http://www.euskadi.net (Spanish, English, French)

For more travelling information, please take a look to the "how to get" ("como llegar") section in the DIPC web page (dipc.ehu.es, upper panel). 

Acommodation

Hotel reservations should be made by the workshop participants themselves. Special rates will be offered to all participants in the SIESTA tutorial at Hotel NH Aranzazu, Hotel Costa Vasca and at the University residence Colegio Mayor Olarain. Both places are at walking distance from the conference venue (Donostia International Physics Center, DIPC).

Please be aware that we cannot guarantee availability of rooms, so make your reservations as soon as possible.

In order to make a reservation, please contact directly the hotel, either by email or phone (see below). You should mention that you are attending the 'SIESTA tutorial’ at the DIPC in order to get the special rates. Although online reservations are also possible, we strongly recommend you not to do it so to avoid misunderstandings with the special rates offered to the SIESTA tutorial participants.

Hotel NH Aranzazu
C/ Vitoria-Gasteiz, 1
20018 San Sebastián-Donostia
Phone number: (+34) 943 219077
email: nharanzazu@nh-hotels.com
URL: NH Hoteles - Hotel Aranzazu
Special rates for the participants of the workshop:

- Double room single use (+ 1 person breakfast):
80,15 euros/night + 7% taxes
- Double room (+ 2 persons breakfast):
92,65 euros/night + 7% taxes

Hotel Costa Vasca
Avda. Pío Baroja, 15
20008 San Sebastián-Donostia
Ph.: (+34) 943 317 950
Fax: (+34) 943 212 428
E-mail: costavasca@barcelo.com
URL: Barceló Hotels - Hotel Costa Vasca
Special rates for the participants of the workshop:

- Single room (+1 person breakfast):
78 euros/night + 7% taxes
- Double room single use (+ 1 person breakfast):
88 euros/night + 7% taxes
- Double room (+ 2 persons breakfast):
102 euros/night + 7% taxes

Colegio Mayor Olarain
Paseo de Ondarreta 24,
20008 San Sebastián-Donostia
Phone number: (+34) 943 003300

Fax: (+34) 943 003309
email: reservas@olarain.com
URL: http://www.olarain.com
Special rates for the participants of the workshop
without taxes:
- Single room (+ 1 person breakfast):
52,50 euros/night + 7% taxes
- Double room (+ 2 person breakfast):
82,50 euros/night +7% taxes


For information on other hotels and lodging options in Donostia-San Sebastián, either visit the following page: Accommodation in Donostia, or go directly to the web page of the Donostia Town Hall. There you will find some of the hotels that are located at walking distance from the DIPC: Hotel San Sebastián (H****), Hotel Hespería (H****), Hotel Codina (H***), Hotel La Galería (H**), Pensión Chomin (P**).

Other interesting links

Searchable Town Map

BUSES - Donosti - San Sebastian