<div class="csl-bib-body">
<div class="csl-entry">Pickem, M., Maggio, E., & Tomczak, J. M. (2023). LinReTraCe: The linear response transport centre. <i>SciPost Physics Codebases</i>, <i>16</i>, 1–62. https://doi.org/10.21468/SciPostPhysCodeb.16</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/189887
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dc.description.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.
en
dc.description.sponsorship
FWF Fonds zur Förderung der wissenschaftlichen Forschung (FWF)
