AMSET

1. Description

AMSET (Ab initio Model for Scattering and Transport) is a code for calculating carrier transport properties (mobility, conductivity, Seebeck coefficient, etc.) from first-principles, taking into account various scattering mechanisms.

2. Capability Verification

• Functionality:
  • Calculation of carrier mobility and lifetime
  • Consideration of acoustic/optical phonon scattering, ionized impurity scattering, etc.
  • Solution of the Boltzmann Transport Equation (BTE)
• Key Features:
  • Interface with VASP (via vasprun.xml)
  • Highly efficient compared to full EPW calculations
  • Materials Project integration

3. Authenticity & Usage

• Official Website/Documentation: https://hackingmaterials.github.io/amset/
• Source Code: https://github.com/hackingmaterials/amset
• Citation: Ganose, A. M., et al. (2021). Efficient calculation of carrier scattering rates from first principles. Nature Communications.

4. Technical Assessment

• Status: Active
• Reliability: High
• Ease of Use: Moderate (Requires understanding of scattering mechanisms)