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Build and Test

Phoebe

A collection of Phonon and Electron Boltzmann Equation solvers

Phoebe is an open-source code for the ab-initio computation of electron and phonon transport properties of crystalline materials.

It is designed to take advantage of HPC systems via MPI-OpenMP hybrid parallelism, memory-distributed computing via ScaLAPACK, and GPU accelerated calculation of scattering rates.

Tutorials, documentation of functionality and underlying theory can be found at:

For further questions or issues, please post on the discussions page for the git repo.

Current functionalities

Electronic Transport

  • Electron-phonon scattering by Wannier interpolation
  • Electron-phonon scattering within the electron-phonon averaged (EPA) approximation
  • Polar correction and boundary scattering contributions to transport
  • Electronic transport coefficients (mobility, conductivity, thermal conductivity, and Seebeck coefficient)

Phonon Transport

  • 3-phonon scattering from thirdOrder.py/ShengBTE or Phono3py force constants
  • Boundary and isotope scattering contributions to transport
  • Phonon (lattice) thermal conductivity

And more...

  • BTE solutions by RTA, iterative, variational, and relaxons solvers
  • Calculation of electron and phonon linewidths or relaxation times on a path
  • Wigner transport equation correction for electrons and phonons (Zener tunneling contribution to electron transport)
  • Hydrodynamic transport properties (viscosity) for electrons and phonons