Searcharxiv⌕ Search
Home/Archive/arXiv

arXiv · 1005.4418

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

Jesse Noffsinger·Feliciano Giustino·Brad D. Malone·Cheol-Hwan Park·Steven G. Louie·Marvin L. Cohen
View original source ↗Read source document ↗Export metadata ↓

Abstract

EPW (Electron-Phonon coupling using Wannier functions) is a program written in FORTRAN90 for calculating the electron-phonon coupling in periodic systems using density-functional perturbation theory and maximally-localized Wannier functions. EPW can calculate electron-phonon interaction self-energies, electron-phonon spectral functions, and total as well as mode-resolved electron-phonon coupling strengths. The calculation of the electron-phonon coupling requires a very accurate sampling of electron-phonon scattering processes throughout the Brillouin zone, hence reliable calculations can be prohibitively time-consuming. EPW combines the Kohn-Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum-ESPRESSO package [1] with the maximally localized Wannier functions provided by the wannier90 package [2] in order to generate electron-phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation. This feature of EPW leads to fast and accurate calculations of the electron-phonon coupling, and enables the study of the electron-phonon coupling in large and complex systems.

Explore related subjects

cond-mat.othercond-mat.mtrl-sci

Keep this discovery

BibTeXRIS

Jesse Noffsinger, Feliciano Giustino, Brad D. Malone, Cheol-Hwan Park, Steven G. Louie, Marvin L. Cohen. 2010-05-24. EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions. https://doi.org/10.1016/j.cpc.2010.08.027

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Microscopic Understanding of Thermal-magnon Transport in a Low-damping Ferrimagnetic Thin Films

Thermally generated magnons enable heat-driven spin transport in magnetic insulators, yet the microscopic mechanisms governing their propagation remain poorly understood. Here, we investigate thermal magnon transport in low-damping Li$_{0.5}$Al$_{1.0}$Fe$_{1.5}$O$_4$/Pt nanodevices using a nonlocal spin Seebeck geometry that separates magnon transport from local thermoelectric effects. Thermal imaging establishes a detector region outside the thermal healing length, enabling intrinsic nonlocal measurements. We find that thermal magnon transport is strongly suppressed by magnetic fields far above saturation. Brillouin light scattering reveals that increasing field reduces the group velocity of backward volume magnons, providing a microscopic origin for the observed reduction in magnon spin diffusion length. We further find that thermal magnon transport decreases with increasing temperature despite an increasing magnon population. Micromagnetic simulations reproduce this behavior only when a temperature-dependent exchange stiffness is included. These results identify magnon group velocity and exchange stiffness as key parameters governing thermal magnon transport in ferrimagnetic thin films.

cond-mat.other↗
arXiv2026

Transport properties and topological phase transitions for a Creutz-Su-Schrieffer-Heeger ladder

In this work, we investigate the electronic, topological, and transport properties of a Creutz-Su-Schrieffer-Heeger (CSSH) ladder. Using a tight-binding model within the Green's function formalism, we calculate the energy spectrum, local density of states (LDOS), and electronic transmission. We first determine the energy spectrum of the CSSH ladder and analyze the different topological phases present in the system, identifying one trivial phase and three distinct nontrivial regions. We then study electronic transport and show that the transmission reproduces the different topological phases through characteristic transport signatures. Finally, we derive the conditions for the emergence of non-topological flat bands and demonstrate that these bands also provide the necessary conditions for the formation of bound states in the continuum (BICs). Our results establish a direct connection between the topological properties, flat-band formation, and electronic transport in the CSSH ladder.

cond-mat.other↗
arXiv2026

Exact Phase-Space Rotation in the Trapped Quantum Calogero Model

We develop a microscopic phase-space description of the quantum Calogero model in the presence of an external harmonic confining potential. Building on the quantum Lax-pair structure, we construct a Hermitian Wigner operator whose expectation value obeys the exact phase-space evolution equation d_t rho + lambda d_x rho - Omega^2 x d_lambda rho = 0 for arbitrary initial states and to all orders in the interaction strength. The resulting dynamics is a rigid rotation in phase space with period 2 pi/Omega, providing a microscopic realization of the isochronous dynamics of the trapped Calogero model. We further show that the moments of the phase-space density form rotating multiplets rather than independent conserved quantities. In particular, within the quadratic sector, the unique conserved combination is proportional to the trapped Hamiltonian, providing a nontrivial consistency check of the construction. In the limit Omega -> 0, the equation reduces to the exact free-streaming equation of the untrapped model.

cond-mat.other↗