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 …

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 present algorithmic and implementation details for the fully self-consistent finite-
temperature GW method in Gaussian Bloch orbitals for solids. Our implementation is based …

We propose that the carbon dimer defect CBCN in hexagonal boron nitride gives rise to the
ubiquitous narrow luminescence band with a zero-phonon line of 4.08 eV (usually labeled …

Electronic and optical properties of materials are affected by atomic motion through the
electron–phonon interaction: not only band gaps change with temperature, but even at …

Exciton dynamics dictates the evolution of photoexcited carriers in photovoltaic and
optoelectronic devices. However, interpreting their experimental signatures is a challenging …

The renormalization of electronic eigenenergies due to electron-phonon coupling
(temperature dependence and zero-point motion effect) is sizable in many materials with …