Hands-on session. Complete characterization of a material. The case of SrTiO3

Updated May 2016

  1. Lattice constant and bulk modulus
    PowerPoint Version     pdf Version     Pseudos, input, and README

  2. Band structure
    PowerPoint Version     pdf Version     Pseudos, input, and README

  3. Density of States and Projected Density of States
    PowerPoint Version     pdf Version     Pseudos, input, and README

  4. Fat bands
    PowerPoint Version     pdf Version     Pseudos, input, and README

  5. Born effective charges
    PowerPoint Version     pdf Version     Pseudos, input, and README

  6. Interface with WANNIER90, directly called from SIESTA (version 5.0)
    PowerPoint Version     pdf Version     Pseudos, input, and README

  7. Plotting the Fermi surface from SIESTA (version 5.0)
    PowerPoint Version     pdf Version     Pseudos, input, and README


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