TY  - JOUR
PB  - SciPost Foundation
DO  - 10.21468/SciPostPhysCodeb.16
TI  - LinReTraCe: The linear response transport centre
PY  - 2023/07/17
UR  - https://www.scipost.org/SciPostPhysCodeb.16
JF  - SciPost Physics Codebases
JA  - SciPost Phys. Codebases
SP  - 16
A1  - Pickem, Matthias
AU  - Maggio, Emanuele
AU  - Tomczak, Jan M.
AB  - 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.
ER  -

@Article{10.21468/SciPostPhysCodeb.16,
	title={{LinReTraCe: The linear response transport centre}},
	author={Matthias Pickem and Emanuele Maggio and Jan M. Tomczak},
	journal={SciPost Phys. Codebases},
	pages={16},
	year={2023},
	publisher={SciPost},
	doi={10.21468/SciPostPhysCodeb.16},
	url={https://scipost.org/10.21468/SciPostPhysCodeb.16},
}

@Article{10.21468/SciPostPhysCodeb.16-r1.1,
	title={{Codebase release 1.1 for LinReTraCe}},
	author={Matthias Pickem and Emanuele Maggio and Jan M. Tomczak},
	journal={SciPost Phys. Codebases},
	pages={16-r1.1},
	year={2023},
	publisher={SciPost},
	doi={10.21468/SciPostPhysCodeb.16-r1.1},
	url={https://scipost.org/10.21468/SciPostPhysCodeb.16-r1.1},
}