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# Sphinx build info version 1 | ||
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. | ||
config: be9b4b929f98b38a87c4babc79888bea | ||
tags: d77d1c0d9ca2f4c8421862c7c5a0d620 |
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:sequential_nav: next | ||
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.. _day3-siesta1: | ||
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Day 3: SIESTA I | ||
=============== | ||
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SIESTA basics | ||
------------- | ||
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Lecture by Prof. Emilio Artacho (CIC NanoGUNE, Ikerbasque, and University of Cambridge). | ||
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Slides available here: (TBA). | ||
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A first contact with SIESTA: inputs, execution and outputs | ||
----------------------------------------------------------- | ||
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Practical session led by Dr. Federico Pedron (ICN2). | ||
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Tutorials covered: | ||
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- `A First Encounter - Part 1: Running SIESTA <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/first-encounter/index.html>`_ | ||
- `A First Encounter - Part 2: Choosing your level of theory <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/first-encounter-theorylevel/index.html>`_ | ||
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Introductory slides available here: (TBA). | ||
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Basis sets | ||
---------- | ||
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Lecture by Dr. Miguel Pruneda (CINN-CSIC). | ||
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Slides available here: (TBA). | ||
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Basis set optimization | ||
---------------------- | ||
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Practical session led by Dr. Federico Pedron (ICN2). | ||
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Tutorials covered: | ||
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- `Basis set optimization <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/basis-optimization/index.html>`_ | ||
- `Basis sets - Tips and tricks <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/basis-sets/index.html>`_ | ||
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Introductory slides available here: (TBA). | ||
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Convergence (k points, mesh, mixing) | ||
------------------------------------ | ||
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Practical session led by Dr. Catalina Coll (ICN2). | ||
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Tutorials covered: | ||
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- `The real-space grid <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/grid-convergence/index.html>`_ | ||
- `Sampling of the BZ with k-points <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/kpoint-convergence/index.html>`_ | ||
- `The self-consistent-field cycle <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/scf-convergence/index.html>`_ | ||
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Introductory slides available here: (TBA). |
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:sequential_nav: next | ||
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.. _day4-siesta2: | ||
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Day 4: SIESTA I | ||
=============== | ||
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A first contact with SIESTA: inputs, execution and outputs | ||
----------------------------------------------------------- | ||
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Practical session led by Dr. Ernane de Freitas (ICN2). | ||
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Tutorials covered: | ||
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- `Structural optimization using forces and stresses <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/basic/structure-optimization/index.html>`_ | ||
- `Molecular Dynamics <https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/advanced/molecular-dynamics/index.html>`_ | ||
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Introductory slides available here: (TBA). | ||
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Analysis tools | ||
-------------- | ||
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Practical session led by Dr. Miguel Pruneda (CINN-CSIC). | ||
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Tutorials covered: | ||
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- TBA | ||
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Introductory slides available here: (TBA). | ||
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Features available in SIESTA: spin-orbit couplings, TranSIESTA, and others | ||
-------------------------------------------------------------------------- | ||
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Lecture by Dr. Nick Papior (Technical University of Denmark) | ||
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Slides available here: (TBA). | ||
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Pushing the boundaries of SIESTA: accelerated and massively parallel solvers | ||
---------------------------------------------------------------------------- | ||
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Practical session led by Dr. Alberto García (ICMAB-CSIC) | ||
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Tutorials covered: | ||
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- TBA | ||
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Introductory slides available here: (TBA). |
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