LinReTraCe: The Linear Response Transport Centre

Abstract

We describe the "Linear Response Transport Centre" (LinReTraCe), a package for the simulation of transport properties of solids. LinReTraCe captures quantum (in)coherence effects beyond semi-classical Boltzmann techniques, while incurring similar numerical costs. The enabling algorithmic innovation is a semi-analytical evaluation of Kubo formulae for resistivities and the coefficients of Hall, Seebeck and Nernst. We detail the program's architecture, its interface and usage with electronic-structure packages such as WIEN2k, VASP, and Wannier90, as well as versatile tight-binding settings.

64 pages, 18 figures, submission to SciPost

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Cited by in corpus (3)

• The Wannier Function Software Ecosystem for Materials Simulations
• Hall response of locally correlated two-dimensional electrons at low density
• Universal transport at Lifshitz metal-insulator transitions in two dimensions