<p align="center"> <img src="fig3.png" width="400" /> </p>

Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors

<p align="right"> by S. Poncé, E.R. Margine and F. Giustino </p>

The structure of this additional documentation is as follow:

BS-exp

Contains the data to compute the Si bandstructure of B-doped diamond

  • PW input files

Allow to reproduce in part Fig. 2

effective_mass_SOC_GW

Contains data to compute the effective masses with SOC and GW corrections

  • PW input files
  • EPW input files

Allow to reproduce Table S1 in part.

meshes

Contains the Sobol and Cauchy grids used for the mobility calculations

mobility_SOC_85k_GW_YAM

Contains the data to compute the carrier mobility with SOC and GW corrections

  • PW input files
  • EPW input files

Allow to reproduce in part Fig. 3 of the paper.

phonons

Contains the data to compute the phonon BS and electron-phonon matrix element on the coarse grid

  • PW input files
  • PH input file

pp

Contains the various PSP that have been tested for this paper

thermo_pw

Contains the input files for the thermo_pw code.

Allow to reproduce in part Fig. S4 and S5