Dear Psi-K community:

We are excited to announce the first release of PERTURBO, a software package for ab initio calculations of electron-phonon interactions, charge transport, and ultrafast carrier dynamics in materials.

The current release can compute:

1. Electron-phonon matrix elements on arbitrary Brillouin zone grids;
2. Electron-phonon scattering rates, relaxation times, and mean free paths;
3. Electrical conductivity, carrier mobility, and Seebeck coefficient using the relaxation-time approximation or the iterative solution of the Boltzmann transport equation (BTE);
4. Nonequilibrium dynamics, such as simulating the cooling and equilibration of excited carriers via interactions with phonons, by time-stepping the time-dependent BTE.

The code supports calculations with or without spin-orbit coupling, using norm-conserving or ultrasoft pseudopotentials. Wannier interpolation is employed to speed up the calculations.

PERTURBO is efficient, highly parallelized (with MPI plus OpenMP), and carefully tested. Its workflows are intuitive and user friendly. We encourage you to visit the PERTURBO website, https://perturbo-code.github.io , and download the code and use it for your current project on electron-phonon interactions and carrier dynamics.

The paper describing PERTURBO is available on arXiv:
Jin-Jian Zhou, Jinsoo Park, I-Te Lu, Ivan Maliyov, Xiao Tong, Marco Bernardi
“Perturbo: a software package for ab initio electron-phonon interactions, charge transport and ultrafast dynamics” 
https://arxiv.org/abs/2002.02045

Please do not hesitate to contact us if you need more information.

With kindest regards,
Marco Bernardi, on behalf of the PERTURBO team