Theoretical sessions

Updated October 2015

1. Fundamentals: the quantum mechanical many-body problem and the Density Functional Theory approach
   PowerPoint Version -- pdf Version
   
   
2. How to run Siesta
   PowerPoint Version -- pdf Version
   
   
3. Pseudopotentials
   PowerPoint Version -- pdf Version
   
   
4. Atomic orbitals of finite range as basis sets
   PowerPoint Version -- pdf Version
   
   
5. Brief introduction to the internal algorithms for computation of matrix elements and the electronic structure
   PowerPoint Version -- pdf Version
   
   
6. Simulations of periodic systems. The sampling in reciprocal space. Computation of band structures in solids.
   PowerPoint Version -- pdf Version
   
   
7. Calculations of vibrational spectrum and phonons
   PowerPoint Version -- pdf Version