Codebase release 1.1 for LinReTraCe
Matthias Pickem, Emanuele Maggio, Jan M. Tomczak
SciPost Phys. Codebases 16-r1.1 (2023) · published 17 July 2023
- doi: 10.21468/SciPostPhysCodeb.16-r1.1
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DOI | Type | |
---|---|---|
10.21468/SciPostPhysCodeb.16 | Article | |
10.21468/SciPostPhysCodeb.16-r1.1 | Codebase release |
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.
Cited by 1
Authors / Affiliations: mappings to Contributors and Organizations
See all Organizations.- 1 Matthias Pickem,
- 1 Emanuele Maggio,
- 1 2 Jan M. Tomczak
- 1 Technische Universität Wien / Vienna University of Technology [TUW]
- 2 King's College London [KCL]
- Austrian Science Fund (FWF) (through Organization: Fonds zur Förderung der wissenschaftlichen Forschung / FWF Austrian Science Fund [FWF])