ElecTra code: Full-band electronic transport properties of materials

This paper introduces ElecTra, an open-source code which solves the linearized Boltzmann transport equation in relaxation time approximation for charge carriers a full-band electronic structure of arbitrary complexity, including their energy, momentum, and band-index dependence. ElecTra stands 'ELECtronic TRAnsport' computes thermoelectric coefficients electrical conductivity, Seebeck coefficient, thermal mobility, semiconductor materials, both unipolar bipolar (small bandgap) materials. The uses computed full-bands relevant scattering parameters as inputs considers single crystal materials 3D 2D. present version (v1) considers: i) elastic with acoustic phonons inelastic non-polar optical deformation potential approximation, ii) polar phonons, iii) ionized dopants, iv) alloy scattering. user is given option intra- inter-valley considerations. simulation output also includes times mean-free-paths. quantities are function Fermi level position, doping density, temperature. can interface any DFT saves '.bxsf' format. In this validated against ideal situations known analytical solutions, existing codes employing constant well experimentally well-assessed such Si, Ge, SiGe, GaAs.