Anomalous phonon magnetic moments - supplementary data
收藏资源简介:
These are the supplementary data to the preprint linked in the related identifiers. The data include input and output files of density functional theory (DFT) calculations of the phonon band structure of monolayer h-BN. File extensions: .abi - Input file for the Abinit DFT software package. .psp8 - Pseudopotential file, used as additional input for the calculations. .ddb - Derivative database file output by the DFT calculations. .json - JSON file containing the phonon energies and eigenvectors. All files can be viewed in a standard text editor. The DFT calculation can be replicated using the .abi and .psp8 files and the Abinit software package (v. 10, www.abinit.org). The phonon band structure can be extracted from the .ddb file and analysed using the anaddb utility within Abinit. The phonon modes can be visualized by uploading the .json file to phononwebsite (henriquemiranda.github.io/phononwebsite/phonon.html).



