woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement

DOI10.1016/j.cpc.2015.12.010zbMath1348.82011arXiv1507.04881OpenAlexW923367649WikidataQ62679872 ScholiaQ62679872MaRDI QIDQ339371

E. Assmann, Jan Kuneš, Peter Blaha, Philipp Wissgott, Alessandro Toschi, Karsten Held

Publication date: 10 November 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1507.04881

zbMATH Keywords

adaptive algorithmdensity functional theoryelectronic structureoptical conductivityWannier functionsaugmented plane waves

Mathematics Subject Classification ID

Related Items (1)

A non-iterative method for vertex corrections of the Kubo formula for electric conductivity

Uses Software

• Wannier90
• WIEN2k
• Wien2wannier
• woptic

Cites Work

• Unnamed Item
• \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
• Wannier90: A tool for obtaining maximally-localised Wannier functions
• Tetrahedral grid refinement
• Uniform Refinement of a Tetrahedron
• Octasection-based refinement of finite element approximations of tetrahedral meshes that guarantees shape quality
• Electron Correlation and Ferromagnetism of Transition Metals

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