**lectures and exercises on DFT & related topics (G. B. Bachelet)**
- 1
^{st} hour (Monday, February 25, 2019)
- Introduction to this part of the course: theory and typical computational tools: home-made atomic codes, VESTA, Quantum Espresso (QE), possibly also Gaussian.

- 2
^{nd} & 3^{rd} hour (Friday, March 1, 2019)
- Pseudopotential theory, first 19 out of 48 slides (~26 MB) NB: these slides are password protected and contain lots of useful links.

- 4
^{nd} & 5^{th} hour (Friday, March 8, 2019)
- Getting familiar with periodic crystals: sc, fcc, bcc, CsCl, rocksalt, diamond and zincblende structures with VESTA.

- 6
^{th} & 7^{th} hour (Friday, March 15, 2019)
- Pseudopotential theory, slides 19-23 (~26 MB); a refresher on Bloch's theorem and plane-wave basis sets, which implies perfect control of Fourier series and transforms. [with F. Surra]

- 8
^{th} & 9^{th} hour (Friday, March 22, 2019)
- Pseudopotential theory, slides 19-23 (~26 MB); a refresher on Bloch's theorem and plane-wave basis sets, which implies perfect control of Fourier series and transforms. [with M. Lentini e M. Rozzi]

- 10
^{th} & 11^{th} hour (Monday, March 25, 2019)
- Pseudopotential theory, slides 24-27 (~26 MB); nonlocal pseudopotentials, model pseudopotentials. [with M. Lentini e M. Rozzi]

- 12
^{th} & 13^{th} hour (Monday, March 29, 2019)
- The homogeneous electron gas (summary: first lines of this page; underlying theory: here). Physical origin and mathematical expression of nonlocal (ℓ-dependent) ionic pseudopotentials (here
an article with some useful formulae and references).

- 14
^{th} & 15^{th} hour (Friday, April 5, 2019)
- Plane-wave matrix elements of nonlocal (ℓ-dependent) ionic pseudopotentials (obtained by expanding each plane wave as an infinite sum of spherical waves
) no longer depend on the
**G**‐**G′** difference, but separately on **k**+**G** and on **k**+**G′**; the alternative of separable (aka "fully nonlocal" pseudopotentials) may be computationally convenient (see e.g. here). [with M. Rozzi]