Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids

ABINIT: Overview and focus on selected capabilities

(2020) Aldo H. Romero et al.   JOURNAL OF CHEMICAL PHYSICS

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

(2020) Vatsal A. Jhalani et al.   PHYSICAL REVIEW LETTERS

First-Principles Theory of Spatial Dispersion: Dynamical Quadrupoles and Flexoelectricity

(2019) Miquel Royo et al.   Physical Review X

The Abinitproject: Impact, environment and recent developments

(2019) Xavier Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

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

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

BoltzTraP2 , a program for interpolating band structures and calculating semi-classical transport coefficients

(2018) Georg K.H. Madsen 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

Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs

(2015) J. Sjakste et al.   PHYSICAL REVIEW B

Fröhlich Electron-Phonon Vertex from First Principles

(2015) Carla Verdi et al.   PHYSICAL REVIEW LETTERS

Flexoelectricity from density-functional perturbation theory

(2013) Massimiliano Stengel   PHYSICAL REVIEW B

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

Wannier interpolation scheme for phonon-induced potentials: Application to bulkMgB2, W, and the(1×1)H-covered W(110) surface

(2008) Asier Eiguren et al.   PHYSICAL REVIEW B