Coupling many-body-perturbation-theory calculations of electron-electron and electron-phonon coupling*

Recently a method [1] was proposed to couple the calculations of G₀W₀ quasiparticle energies and electron-phonon scattering in molecules and nanostructures by using the spectral decomposition of dielectric matrices [2]. Here we generalize this approach to solids. Our implementation in the WEST [3] code (www.west-code.org) does not require summation over conduction bands or any self-consistent density-functional-perturbation-theory calculations. We validate our framework by computing phonon frequencies and electron-phonon lifetimes of several semiconductors and insulators, and we discuss the accuracy and efficiency of the method relative to existing techniques.

[1] R. L. McAvoy, M. Govoni, and G. Galli. J. Chem. Theory. Comp. 14, 2018.
[2] H. F. Wilson, F. Gygi and G. Galli. Phys. Rev. B. 78, 2008; H. F. Wilson, D. Lu, F. Gygi, and G. Galli. Phys. Rev. B. 79, 2009.
[3] M. Govoni and G. Galli. J. Chem. Theory. Comput. 11, 2015