Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

abinit is probably the first electronic-structure package to have been released under an open-
source license about 20 years ago. It implements density functional theory, density …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

Abstract The EPW (Electron-Phonon coupling using Wannier functions) software is a
Fortran90 code that uses density-functional perturbation theory and maximally localized …

ABINIT is a package whose main program allows one to find the total energy, charge
density, electronic structure and many other properties of systems made of electrons and …

We probe the accuracy limit of ab initio calculations of carrier mobilities in semiconductors,
within the framework of the Boltzmann transport equation. By focusing on the paradigmatic …

One of the fundamental properties of semiconductors is their ability to support highly tunable
electric currents in the presence of electric fields or carrier concentration gradients. These …

We develop a method for calculating the electron-phonon vertex in polar semiconductors
and insulators from first principles. The present formalism generalizes the Fröhlich vertex to …

Carrier mobility is at the root of our understanding of electronic devices. We present a unified
methodology for the parameter-free calculations of phonon-limited drift and Hall carrier …