Self-explained SIESTA tutorial

Updated April 2016

    Here we present a collection of theoretical lectures and self-explained SIESTA exercises compiled during the years on many schools and tutorials. I would like to acknowledge the collaboration of the SIESTA team during the preparation, testing, and cleaning of the exercises:
    Emilio Artacho CIC Nanogune San Sebastián (Spain)
    Julian Gale Curtin University of Technology Perth (Australia)
    Alberto García Institut de Ciència de Materials de Barcelona (ICMAB-CSIC) Barcelona (Spain)
    José Soler Universidad Autónoma de Madrid Madrid (Spain)
    Pablo Ordejón Institut Català de Nanociència i Nanotecnologia (ICN2) Barcelona (Spain)
    Daniel Sánchez-Portal Unidad de Física de Materiales, Centro Mixto CSIC-UPV/EHU San Sebastián (Spain)

    The present exercises are just simple examples to show how-to run different capabilities of SIESTA. Before running a calculation for production, test the pseudopotentials, basis sets, and perform the convergence tests (mesh cutoff, k-grid sampling, etc). Some of these parameters have been chosen for you to speed up the calculations, and might not be converged.

    Please, report any error or mistake that you could detect on these exercises to: javier.junquera --


    Some openings for PhD fellowships funded by the University of Cantabria are available. If you are a Master student who wish to work in the field, please take a look at this call

    The Theory of Condensed Matter Group at the University of Cantabria is willing to support personal applications to PhD and post-doctoral fellowships offered by funding agencies from Spain and Europe (through the Marie Skłodowska-Curie actions)

    Some theoretical lectures

    Set of self-explained SIESTA exercises

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