Introduction

This repository contains the source code and data associated with the paper:

• Zhe Liu, Shashi Mishra, Jae-Mo Lihm, Samuel Poncé, and Elena R. Margine, Phonon-limited carrier transport in the Weyl semimetal TaAs

Source Code

The data presented in this paper were calculated using Quantum ESPRESSO from the develop branch of the official EPW repository (https://gitlab.com/epw/q-e). The modified EPW codes is offered in code/src.

Figure scripts and data

The directories figure/Fig* contain the Python or gnuplot scripts and data necessary to create all figures shown in the paper

input files

The directory pseudopotentials contains pseudopotentials used in the calculation

The directory calculations contains the input files and scripts we have used.

1. basic: The input files for PWSCF, PHONON, and the first step of EPW.
2. Efermi: The convergence of the Fermi level.
3. Weyl_nodes_band: The band structure near the Weyl nodes.
4. linewidth: |g_{q\nu}|, linewidth, and nesting function
5. conductivity: The conductivity by SERTA and BTE, as well as scattering rates
6. CRTA: The conductivity by CRTA
7. freq_resolved_tau1: The frequency resolved scattering rates