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SIESTA/TranSiesta Tutorial, Tel Aviv, September 2014

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LIST OF LECTURES:

  1. Introduction to the role of first-principles calculations
    [Slides] [Video]

  2. DFT and general notions about first-principles codes
    [Slides] [Video]

  3. Overview of Siesta
    [Slides]

  4. Examples of practical calculations with SIESTA

  5. Examples of practical calculations with SIESTA II

  6. Pseudopotentials
    [Slides] [Video]

  7. Basis sets
    [Slides] [Video]

  8. Electronic structure examples

  9. Electronic structure examples II

  10. Siesta's internal details
    [Slides] [Video]

  11. Quantum electronic transport: TranSiesta basics
    [Slides] [Video]

  12. Structure setup for TranSiesta calculations
    [Slides]

  13. Convergence parameters in TranSiesta calculations
    [Slides]

  14. TranSiesta: Advanced examples

  15. Calculation of Forces/Stress: Geometry optimization
    [Slides]

  16. Molecular Dynamics: Theory
    [Slides]

  17. Molecular Dynamics: Practice

  18. Phonons: Theory
    [Slides]

  19. Phonons: Practice

  20. Advanced issues
    [Slides]