Practical sessions using Siesta

Updated September 2017

1. Basic exercises
   
   
2. Setting up the atomic structure
   
   
3. Pseudos (work done in deep collaboration with Alberto García)
   
   
4. Basis sets
   
   
5. Converging the simulations
   
   
6. Computing structural and electronic properties of materials
   
   
7. Computing vibrational properties of materials
   
   
8. Molecular Dynamics
   
   
9. Playing with the electrostatic boundary conditions
   
   
10. Interface with WANNIER90
    
    
11. Complete characterization of a material: the case of SrTiO₃
    
    
12. LDA+U: the case of NiO