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

Documentation for FLEUR build using MkDocs

 

https://www.flapw.de/MaX-5.1/DFT-lecture-tutorial-2020/