DownloadTRACK code based on Python3 is useful for understanding the basic physics of transport behaviour by utilizing the electron-electron interaction. It is developed to calculate the temperature dependent transport properties (electrical conductivity, electronic part of thermal conductivity, Seebeck coefficient and Lorenz number) of different class of materials (e.g. correlated material) using the Kubo linear-response formalism. This method is implemented for estimating the transport properties using interacting (DFT+DMFT) and non-interacting (DFT) electronic structure methods. It is possible to use the relaxation time approximation in this code with the eigenvalues of DFT method. In present version, the code is interfaced with WIEN2k and eDMFTF codes.
Please cite the paper mentioned below while using the TRACK code for your research.
A. Sihi and S. K. Pandey, Comput. Phys. Commun. 285, 108640 (2023).
Link of the paper: https://doi.org/10.1016/j.cpc.2022.108640
Features
- Kubo formalism
- Electronic structure methods (DFT and DFT+DMFT)
- Transport properties