Fleur workshop 2019 (picking flowers) - Tutorial
In September 2019 we hosted a Hands-on tutorial on using FLEUR.
Program of the tutorial
The tutorial featured lectures in the morning and hands-on tutorial sessions in the afternoon. The slides and video recordings of the lectures can be found below.
| Presentation | Author | Video |
|---|---|---|
| DFT and electronic structure methods | Mariana Lezaic | |
| The LAPW method | Gregor Michalicek | |
| Forces, Density functional perturbation theory | Christian-Roman Gerhorst | No video |
| Magnetism | Daniel Wortmann | |
| Spin-orbit physics | Gustav Bihlmayer | |
| Wannier functions | Jan-Philipp Hanke | |
| Band unfolding | Stefan Rost | |
| The AiiDA framework | Jens Bröder | |
| The AiiDA-FLEUR plugin | Vasily Tseplyaev | |
| HPC and FLEUR | Uliana Alekseeva | |
| Exchange and Correlation | Matthias Redies | |
| The GW Approximation | Christoph Friedrich | |
| Hubbard U from constrained RPA | Christoph Friedrich | |
| Advanced Magnetism | Markus Hoffmann | |
| Topological effects | Yuriy Mokrousov |
Hands-on part
In the hands-on part of the tutorial we covered several aspects concerning the use of FLEUR. For self-study, detailed descriptions are available here below.
| day | topic |
|---|---|
| day 1 | First steps |
| day 2 | Magnetism |
| day 3 | Fleur with Aiida |
| day 4 | Calculations with Spex |