| 43. |
Final exam:
[exercise1,
exercise2,
exercise3,
exercise4].
|
| 42. |
Final exam:
[exercise1,
exercise2,
exercise3,
exercise4].
|
| 41. |
Density functional perturbation theory for lattice dynamics.
[pdf]
|
| 40. |
Phonon interpolation and vibrational thermodynamic quantities.
[pdf]
|
| 39. |
Density functional perturbation theory for electric fields.
[pdf]
|
| 38. |
Final exam:
[exercise1,
exercise2].
|
| 37. | Final exam: [exercise1.pdf, exercise2.pdf]. |
| 36. | Laboratory on pseudopotential generation: [pseudo_gen.tgz]. |
| 35. | Final exam: [exercise1, exercise2]. |
| 34. | Final exam: [pdf]. |
| 33. | Laboratory: [lab1]. |
| 32. | Final exam: [exercise1, exercise2]. |
| 31. | Final exam: [exercise1]. |
| 30. | Final exams: [exercise1, exercise2, exercise3, exercise4, exercise5, exercise6, exercise7, exercise8, exercise9]. |
| 29. |
Computer exercise: Cohen and Bergstresser empirical pseudopotentials band structures.
[tgz]. |
| 28. |
Computer exercise: Band structure of free electrons. Exercise
[tgz]. |
| 27. |
Density functional perturbation theory for electric fields.
[pdf]
Most updated version Electronic Structure SISSA (2022/23). |
| 26. | Computer exercise: Introduction to self-consistent DFT calculations for solids. [tgz] |
| 25. | Computer exercise: Cohen and Bergstresser empirical pseudopotentials band structures. [tgz] |
| 24. | Computer exercise: Free electrons band structures. [tgz] |
| 23. |
Density functional perturbation theory for lattice dynamics.
[pdf]
Most updated version Electronic Structure SISSA (2022/23). |
| 22. |
Phonon interpolation and vibrational thermodynamic properties.
[pdf]
Most updated version Electronic Structure SISSA (2022/23). |
| 21. | Computer exercise: Phonon dispersions of silicon and vibrational thermodynamic properties. [tgz] |
| 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]. Most updated version (Trento 2020). |
| 15. |
Computer exercise: Band structure of free electrons. Exercise
[tgz]. Most updated version (Trento 2020). |
| 14. |
Computer exercise: Silicon ionization potentials. Exercise
[tgz]. |
| 13. |
Introduction to ab-initio lattice dynamics and vibrational thermodynamics. Slides
[pdf]. Most updated version Electronic struture course SISSA (2022/23). |
| 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].
Most updated version Electronic Structure SISSA (2022/23). |
| 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]. Most updated version Electronic Structure SISSA (2022/23). |
| 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]. Most updated version Electronic Structure SISSA (2022/23). |