Update information for the FLEUR code

_codes/fleur.md

@@ -4,25 +4,30 @@ title: FLEUR
 Topics: All-electron Density Functional Theory, Materials Science, Solid State Physics
 Link: https://www.flapw.de
 Project Head: Stefan Blügel, Daniel Wortmann
-Members: Gregor Michalicek, Uliana Alekseeva, Christian-R. Gerhorst
+Members: Gregor Michalicek, Thomas Bornhake, Wejdan Beida
 toc: true
 ---
 
 - TOC
 {:toc}
 
 # FLEUR
-FLEUR is an all-electron density functional theory suite of codes based on the full-potential linearized augmented plane wave (FLAPW) method. The key component of FLEUR is a versatile DFT code for the ground-state properties of multicomponent one-, two- and three-dimensional solids. A special focus of the development lies on non-collinear magnetism, the determination of exchange parameters, spin-orbit related properties (topological and Chern insulators, Rashba and Dresselhaus effect, magnetic anisotropies, Dzyaloshinskii-Moriya interaction) and magnon dispersion. A link to WANNIER90 enables the calculation of intrinsic and extrinsic transverse transport properties (anomalous-, spin- and inverse spin Hall effect, spin-orbit torque, anomalous Nernst effect, or topological transport properties such as the quantum spin-Hall effect etc.) in linear response theory using the Kubo formula. FLEUR includes LDA+U as well as hybrid-functionals for the accurate description of e.g. oxide materials and by linking against the libxc library, many more functionals are accessible.
 
-FLEUR is one of the flagship codes of the MaX-Centre of Excellence.
+FLEUR is an all-electron density functional theory suite of codes based on the full-potential linearized augmented plane wave (FLAPW) method. The key component of FLEUR is a versatile DFT code for the ground-state properties of multicomponent one-, two- and three-dimensional solids. A special focus of the development lies on non-collinear magnetism, the determination of exchange parameters, spin-orbit related properties (topological and Chern insulators, Rashba and Dresselhaus effect, magnetic anisotropies, Dzyaloshinskii-Moriya interaction) and magnon and phonon dispersion. A link to WANNIER90 enables the calculation of intrinsic and extrinsic transverse transport properties (anomalous-, spin- and inverse spin Hall effect, spin-orbit torque, anomalous Nernst effect, or topological transport properties such as the quantum spin-Hall effect etc.) in linear response theory using the Kubo formula. FLEUR includes LDA+U as well as hybrid-functionals for the accurate description of e.g. oxide materials and by linking against the libxc library, many more functionals are accessible.
+
+FLEUR is one of the lighthouse codes of the MaX-Centre of Excellence.
+
 ## Goals
+
 The main goals within HIRSE_PS are dealing with the extension and consolidation of our development process:
 - Extension of the CI testing to performance testing.
 - Clearer developed path to integrate large scale developments without breaking the code base.
-- Modularization and refactoring of OpenACC and OpenMPI implementations.
-
+- Modularization and refactoring of OpenACC and OpenMP implementations.
+- Development of calculation setup parameter profiles to minimize manual setup needs for HPC and HTC projects.
 
 ## Activities
 
-Generation of a set of performance tests suitable for automatic execution.
+- Generation of a set of performance tests suitable for automatic execution.
+- Creation, integration and comissioning of the infrastructure for continuous benchmarking, based on the software Bencher.
+