Phonons from Density-Functional Perturbation Theory using the All-Electron Full-Potential Linearized Augmented Plane-Wave Method FLEUR

Authors: Gerhorst, Christian-Roman, Neukirchen, Alexander, Klüppelberg, Daniel A., Bihlmayer, Gustav, Betzinger, Markus, Michalicek, Gregor, Wortmann, Daniel, Blügel, Stefan

Source: Electronic Structure 6, 017001 (2024)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2309.14799

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Authors: Bosoni, Emanuele, Beal, Louis, Bercx, Marnik, Blaha, Peter, Blügel, Stefan, Bröder, Jens, Callsen, Martin, Cottenier, Stefaan, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Fornari, Marco, Garcia, Alberto, Genovese, Luigi, Giantomassi, Matteo, Huber, Sebastiaan P., Janssen, Henning, Kastlunger, Georg, Krack, Matthias, Kresse, Georg, Kühne, Thomas D., Lejaeghere, Kurt, Madsen, Georg K. H., Marsman, Martijn, Marzari, Nicola, Michalicek, Gregor, Mirhosseini, Hossein, Müller, Tiziano M. A., Petretto, Guido, Pickard, Chris J., Poncé, Samuel, Rignanese, Gian-Marco, Rubel, Oleg, Ruh, Thomas, Sluydts, Michael, Vanpoucke, Danny E. P., Vijay, Sudarshan, Wolloch, Michael, Wortmann, Daniel, Yakutovich, Aliaksandr V., Yu, Jusong, Zadoks, Austin, Zhu, Bonan, Pizzi, Giovanni

Source: Nat. Rev. Phys. 6, 45 (2024)

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Access URL: http://arxiv.org/abs/2305.17274

Electric dipole moment as descriptor for interfacial Dzyaloshinskii-Moriya interaction

Authors: Jia, Hongying, Zimmermann, Bernd, Michalicek, Gregor, Bihlmayer, Gustav, Blügel, Stefan

Source: Phys. Rev. Materials 4, 024405 (2020)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1912.08014

A 3D simultaneous localization and mapping exploration system

Authors: Michalicek, Gregor, Klimentjew, Denis, Zhang, Jianwei

Source: 2011 IEEE International Conference on Robotics and Biomimetics Robotics and Biomimetics (ROBIO), 2011 IEEE International Conference on. :1059-1065 Dec, 2011

Relation: 2011 IEEE International Conference on Robotics and Biomimetics (ROBIO)

Elimination of the linearization error and improved basis-set convergence within the FLAPW method

Authors: Michalicek, Gregor, Betzinger, Markus, Friedrich, Christoph, Blügel, Stefan

Source: Computer Physics Communications, Volume 184, Issue 12, December 2013, Pages 2670-2679

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1302.3130

Hybrid Parallelization and Performance Optimization of the FLEUR Code: New Possibilities for All-Electron Density Functional Theory
Parallel and distributed computing

Authors: Alekseeva, Uliana, Michalicek, Gregor, Wortmann, Daniel, Blügel, Stefan

Source: Lecture notes in computer science. 11014:735-748

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCCN604104438&indx=1&recIds=ETOCCN604104438

Extending the precision and efficiency of the all-electron full-potential linearized augmented plane-wave density-functional theory method

Authors: Michalicek, Gregor

Contributors: Krasovskii, Eugene, Weßel, Stefan, Blügel, Stefan

Availability: http://data.europeana.eu/aggregation/europeana/2048441/item_PLQIIDUZEBGWGMM3ZFTAFVXADTMPKWD5