npm 22 uu 4500 fdr_mods_00000358 10.57892/100-358 doi fdr_mods_00000358 ger DE-601 rda eng 530 sdnb Wendorff, Falk Author aut DFT data for „Uniaxial structural flexibility of an anisotropic Br adlayer structure on Au(100) electrodes revealed by video-rate STM“ Wendorff, Falk;Pehlke, Eckhard 2026-05-24 mixed material zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier README file and compressed tar-archive containing DFT data for publication [1] . Data have been created using programs from the software package ”Quantum ESPRESSO“ [2,3]. Pseudopotentials from the GBRV library [4] have been used. Data is based on previous work and DFT data by S. Buttenschön [5]. Please cite the relevant publications when using the data. [1] C. Yang et al., original publication, Commun. Mater. (2026) https://doi.org/10.1038/s43246-026-01195-w . [2] P. Giannozzi et al., J. Phys. Condens. Matter 21 395502 (2009). [3] P. Giannozzi et al., J. Phys. Condens. Matter 29 465901 (2017). [4] K.F. Garrity et al., Comput. Mater. Sci. 81 446 (2014). [5] S. Buttenschön, Doctoral thesis, Kiel, (2025), https://macau.uni-kiel.de/receive/macau_mods_00007236. The archive contains density functional theory (DFT) data for the publication „Chalong Yang, Falk Wendorff, Sönke Buttenschön, Eckhard Pehlke, and Olaf M. Magnussen, Uniaxial structural flexibility of an anisotropic Br adlayer structure on Au(100) electrodes revealed by video-rate STM, Comms. Mat. (2026)“ (DOI: https://doi.org/10.1038/s43246-026-01195-w). database Pehlke, Eckhard Author aut Faculties Faculty of Mathematics and Natural Sciences host institution his https://opendata.uni-kiel.de/receive/fdr_mods_00000358 object in context https://opendata.uni-kiel.de/servlets/MCRZipServlet/fdr_derivate_00000350 raw object https://opendata.uni-kiel.de/rsc/thumbnail/fdr_mods_00000358.png preview https://opendata.uni-kiel.de/receive/fdr_mods_00000358 uri