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

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

July 19, 2016 | S. Ponce, E. R. Margine, C. Verdi, F. Giustino
The EPW software is a Fortran90 code that computes electron-phonon couplings and related properties in solids using density-functional perturbation theory and maximally localized Wannier functions. It can calculate electron and phonon self-energies, linewidths, electron-phonon scattering rates, coupling strengths, transport spectral functions, electronic velocities, resistivity, anisotropic superconducting gaps, and spectral functions within the Migdal-Eliashberg theory. The code now supports spin-orbit coupling, time-reversal symmetry in noncentrosymmetric crystals, polar materials, and k and q-point parallelization. It has been optimized for speed, achieving a tenfold speedup compared to previous versions. The code is fully integrated into the Quantum ESPRESSO package and is available for download. The EPW software is used to study a wide range of phenomena, including electron velocity renormalization, phonon softening, phonon-assisted absorption, critical temperature in superconductors, resistivity, and electronic excitation energy renormalization. The code is tested on a wide range of compilers and architectures using a Buildbot test farm. The EPW software is free and released under a GNU General Public License. It is used to calculate various physical properties, including the electron linewidth, phonon linewidth, electron scattering rate, nesting function, electron-phonon coupling strength, and superconducting properties. The code is also used to calculate the Allen-Dynes superconductivity critical temperature, anisotropic Eliashberg spectral function, anisotropic superconducting gap, specific heat in the superconducting state, tunneling density of states, Ziman’s resistivity formula, transport spectral function, electronic velocities, and other electronic transport properties. The code is parallelized using a message passing interface (MPI) library and is available for use on a wide range of computer architectures. The EPW software is used to study a wide range of materials, including polar materials, where electron-phonon matrix elements diverge as 1/|q| for |q| → 0. The code addresses this by splitting the matrix elements into short- and long-range contributions. The code is also used to study superconducting properties, including the critical temperature, anisotropic Eliashberg spectral function, and superconducting gap. The code is used to calculate the superconducting gap as the ratio between the order parameter and the renormalization function. The code is used to calculate the superconducting specific heat, which increases exponentially with temperature at low temperatures and undergoes a discontinuous jump at the critical temperature. The code is used to calculate the superconducting tunneling density of states, which is related to the quasiparticle density of states. The code is used to calculate electronic transport properties, including the resistivity, electronic velocities, and transport spectral function. The code is used to calculate the electronic velocities using the local approximationThe EPW software is a Fortran90 code that computes electron-phonon couplings and related properties in solids using density-functional perturbation theory and maximally localized Wannier functions. It can calculate electron and phonon self-energies, linewidths, electron-phonon scattering rates, coupling strengths, transport spectral functions, electronic velocities, resistivity, anisotropic superconducting gaps, and spectral functions within the Migdal-Eliashberg theory. The code now supports spin-orbit coupling, time-reversal symmetry in noncentrosymmetric crystals, polar materials, and k and q-point parallelization. It has been optimized for speed, achieving a tenfold speedup compared to previous versions. The code is fully integrated into the Quantum ESPRESSO package and is available for download. The EPW software is used to study a wide range of phenomena, including electron velocity renormalization, phonon softening, phonon-assisted absorption, critical temperature in superconductors, resistivity, and electronic excitation energy renormalization. The code is tested on a wide range of compilers and architectures using a Buildbot test farm. The EPW software is free and released under a GNU General Public License. It is used to calculate various physical properties, including the electron linewidth, phonon linewidth, electron scattering rate, nesting function, electron-phonon coupling strength, and superconducting properties. The code is also used to calculate the Allen-Dynes superconductivity critical temperature, anisotropic Eliashberg spectral function, anisotropic superconducting gap, specific heat in the superconducting state, tunneling density of states, Ziman’s resistivity formula, transport spectral function, electronic velocities, and other electronic transport properties. The code is parallelized using a message passing interface (MPI) library and is available for use on a wide range of computer architectures. The EPW software is used to study a wide range of materials, including polar materials, where electron-phonon matrix elements diverge as 1/|q| for |q| → 0. The code addresses this by splitting the matrix elements into short- and long-range contributions. The code is also used to study superconducting properties, including the critical temperature, anisotropic Eliashberg spectral function, and superconducting gap. The code is used to calculate the superconducting gap as the ratio between the order parameter and the renormalization function. The code is used to calculate the superconducting specific heat, which increases exponentially with temperature at low temperatures and undergoes a discontinuous jump at the critical temperature. The code is used to calculate the superconducting tunneling density of states, which is related to the quasiparticle density of states. The code is used to calculate electronic transport properties, including the resistivity, electronic velocities, and transport spectral function. The code is used to calculate the electronic velocities using the local approximation
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