Density Functional Theory and Electronic Structure (WS2020) - Tutorial
Program of the tutorial
Note, during WS2020 the tutorial is under construction. Each topic will be completed just in time for the students working on the tutorial in the context of the DFT lecture. This is 3pm. at each date. Before that the respective topic (or the content) can still change, even if there is already text available.
| date | topic |
|---|---|
| 04.11.2020 | Obtaining and installing Fleur |
| 11.11.2020 | Calculating lattice constants |
| 18.11.2020 | Convergence with respect to parameters |
| 25.11.2020 | Band structures, semicore states, and local orbitals |
| 02.12.2020 | Density of states |
| 09.12.2020 | Force relaxations and thin films |
| 16.12.2020 | Simple magnetic systems |
| 06.01.2021 | Spin-orbit coupling |
| 13.01.2021 | Non-collinear magnetism and force theorem |
| 20.01.2021 | GW approximation |
| 27.01.2021 | GW bandstructures utilizing Wannier interpolation |
| 03.02.2021 | Spin spirals |