20.  Density functional perturbation theory for lattice dynamics with ultrasoft PPs and PAW. [pdf] 
19. 
Final exams:
[exercise1,
exercise2,
exercise3,
exercise4].

18. 
Computer exercise: Charge density of Si and GaAs with empirical pseudopotentials. Exercise
[tgz]. 
17. 
Computer exercise: Free electrons density of states (1D, 2D, and 3D). Exercise
[tgz]. 
16. 
Computer exercise: Band structure of Si and GaAs with empirical pseudopotentials. Exercise
[tgz]. 
15. 
Computer exercise: Band structure of free electrons. Exercise
[tgz]. 
14. 
Computer exercise: Silicon ionization potentials. Exercise
[tgz]. 
13. 
Introduction to abinitio lattice dynamics and vibrational thermodynamics. Slides
[pdf]. 
12. 
Computer exercise: The α  β phase transition in tin. Exercise
[tgz]. 
11. 
Modern pseudopotentials: an introduction. Slides
[pdf]. 
10. 
Homeworks
[exercise_1,
exercise_2,
exercise_3,
exercise_4]. 
9. 
Computer exercise: Density functional perturbation theory for lattice dynamics.
Slides
[pdf].
Exercise (original [tgz],
simplified compilation [tgz]).

8. 
Density functional perturbation theory for lattice dynamics. Slides
[pdf].
Exercise [tgz].

7. 
The PWcond.x code: complex bands, transmission and ballistic conductance. Slides
[pdf].
Exercise [tgz]. 
6. 
Density functional perturbation theory II: phonon dispersions. Slides
[pdf]. 
5. 
Introduction to noncollinear magnetism and spinorbit coupling in Quantum ESPRESSO. Slides
[pdf]. Exercise [tgz]. 
4. 
Pseudopotential generation and test by the ld1.x atomic code: an introduction. Slides
[pdf]. Exercise [tgz].

3. 
Pseudopotential generation. Exercise
[tgz]. 
2. 
The atomic code ld1.x. Exercise
[tgz]. 
1. 
Introduction to density functional perturbation theory for lattice dynamics. Slides
[pdf].
Exercise [tgz]. 