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Michalicek, Gregor
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Wortmann, Daniel
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Journal Article
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Bosoni, Emanuele
2024
Nature reviews / Physics, 6 (2024) S. 45-58
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Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *
Gerhorst, Christian-Roman
2024
Electronic structure, 6 (2024) 1, S. 017001 -
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Conference Presentation
Calculation Of Phonon Spectra With The FLAPW Method Using Density Functional Perturbation Theory
Neukirchen, Alexander
2023
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Fast All-Electron Hybrid Functionals and Their Application to Rare-Earth Iron Garnets
Redies, Matthias
2022
Frontiers in Materials, 9 (2022) S. 851458
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Hybrid Parallelization and Performance Optimization of the FLEUR Code: New Possibilities for All-Electron Density Functional Theory
Alekseeva, Uliana
2018
Published on 2018-08-31. Available in OpenAccess from 2019-08-31.
Published on 2018-08-31. Available in OpenAccess from 2019-08-31.
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Journal Article
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1
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Blügel, Stefan
5
Michalicek, Gregor
Wortmann, Daniel
Bihlmayer, Gustav
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Gerhorst, Christian-Roman
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Neukirchen, Alexander
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Alekseeva, Uliana
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Beal, Louis
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Bercx, Marnik
1
Betzinger, Markus
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Blaha, Peter
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Bosoni, Emanuele
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Bouaziz, Juba
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Broeder, Jens
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Callsen, Martin
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Cottenier, Stefaan
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Degomme, Augustin
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Dikan, Vladimir
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Eimre, Kristjan
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Flage-Larsen, Espen
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Fornari, Marco
1
Garcia, Alberto
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Genovese, Luigi
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Giantomassi, Matteo
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Huber, Sebastiaan P.
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Janssen, Henning
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Kastlunger, Georg
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Klüppelberg, Daniel Aaron
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Topological Matter
4
MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design
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Controlling Configuration-Based Phenomena
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Controlling Spin-Based Phenomena
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Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups
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Helmholtz Platform for Research Software Engineering - Preparatory Study
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Quanten-Theorie der Materialien; IAS-1
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Quanten-Theorie der Materialien; PGI-1
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JARA - HPC; JARA-HPC
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JARA-FIT; JARA-FIT
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Materials Data Science and Informatics; IAS-9
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