| 16. |
Computer exercise: Silicon ionization potentials. Exercise
[tgz]. |
| 15. |
Computer exercise: Band structure of Si and GaAs with empirical pseudopotentials. Exercise
[tgz]. |
| 14. |
Computer exercise: Band structure of free electrons. Exercise
[tgz]. |
| 13. |
Introduction to ab-initio 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 [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 spin-orbit 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]. |