SIESTA Tutorial talks

• First day
  • Role of first-principles calculations (Alberto Garcia)
  • DFT and general notions about first-principles codes (Roberto Robles)
  • Overview of the internals of SIESTA (Daniel Sanchez-Portal)
• Second day
  • Convergence Issues (Roberto Robles)
  • Solvers: diagonalization, O(N), OMM, PEXSI. Parallelization issues (Stephan Mohr)
  • Spin-orbit (Ramon Cuadrado)
• Third day
  • New capabilities of the code. Development roadmap. (Alberto Garcia)
  • DFT+U (Daniel Sanchez-Portal/Rafi Ullah)
  • TD-DFT (Rafi Ullah/Daniel Sanchez-Portal)
  • Calculation of Forces/Stress and Geometry optimization (Marivi Fdez-Serra)
  • Molecular Dynamics (Marivi Fdez-Serra)
• Fourth day
  • Calculation of lattice vibrations: frozen phonons and molecular dynamics (Andrei Postnikov)
  • Quantum electronic transport: Basic formalism (Pablo Ordejon)
  • Quantum electronic transport: TranSIESTA (Pablo Ordejon)
  • Quantum electronic transport: TranSIESTA Basics (Pablo Ordejon/Nick Papior, from Tel Aviv 2014 Tutorial)

More talks with tutorial material can be found in Javier Junquera's website