Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW

Electron–phonon physics from first principles using the EPW code

(2023) Hyungjun Lee et al.   npj Computational Materials

The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations

(2022) Nakib H. Protik et al.   npj Computational Materials

Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors

(2021) Zhenglu Li et al.   PHYSICAL REVIEW LETTERS

Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics

(2021) Jin-Jian Zhou et al.   COMPUTER PHYSICS COMMUNICATIONS

Discovering and understanding materials through computation

(2021) Steven G. Louie et al.   NATURE MATERIALS

Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the GW Method: Correlation-Enhanced Interactions and Superconductivity in Ba1−xKxBiO3

(2019) Zhenglu Li et al.   PHYSICAL REVIEW LETTERS

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Electron-phonon interactions from first principles

(2017) Feliciano Giustino   REVIEWS OF MODERN PHYSICS

Recent developments in the ABINIT software package

(2016) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions

(2016) S. Poncé et al.   COMPUTER PHYSICS COMMUNICATIONS

Exploring approximations to theGWself-energy ionic gradients

(2015) C. Faber et al.   PHYSICAL REVIEW B

Many-Body Effects on the Zero-Point Renormalization of the Band Structure

(2014) G. Antonius et al.   PHYSICAL REVIEW LETTERS

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

Electron-phonon coupling in the C60fullerene within the many-bodyGWapproach

(2011) Carina Faber et al.   PHYSICAL REVIEW B

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

(2010) Jesse Noffsinger et al.   COMPUTER PHYSICS COMMUNICATIONS

Adiabatic and nonadiabatic phonon dispersion in a Wannier function approach

(2010) Matteo Calandra et al.   PHYSICAL REVIEW B

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Impact of the electron-electron correlation on phonon dispersion: Failure of LDA and GGA DFT functionals in graphene and graphite

(2008) Michele Lazzeri et al.   PHYSICAL REVIEW B

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS