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
27.01.2020 GW bandstructures utilizing Wannier interpolation
03.02.2020 Spin spirals