Density Functional Theory and Electronic Structure (WS2021) - Tutorial

Program of the tutorial

Note, during WS2021 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
27.10.2021 Obtaining and installing Fleur
03.11.2021 Calculating lattice constants
10.11.2021 Convergence with respect to parameters
17.11.2021 Band structures, semicore states, and local orbitals
24.11.2021 Density of states
01.12.2021 Force relaxations and thin films