BoltzTraP. A code for calculating band-structure dependent quantities

Preprint

8 February 2006

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0602203

Abstract

A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we calculate the derivatives necessary for the transport distributions. The method is compared to earlier calculations, which in principle should be exact within Boltzmann theory, and a very convincing agreement is found.

Keywords

BAND STRUCTURE
BOLTZTRAP
CALCULATING BAND
CODE FOR CALCULATING
DEPENDENT QUANTITIES
INTERPOLATION
REPRESENTATION
SMOOTHED
TRANSPORT
CONVINCING AGREEMENT

All Related Versions

Version 1, 2006-02-08, ArXiv
Published version: Computer Physics Communications, 175 (1), 67.

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