v1.1

New features added/improvements made

• 4-phonon interactions.
• Phonon-thin-film scattering.
• Exact in-scattering correction due to phonon-isotope and electron-impurity scattering.
• Scissor operation to the conduction band.
• Distributed coarray of real-space, Wannier-rep electron-phonon matrix elements.
• Improved method for electron-charged impurity scattering following Ganose et al. Nat. Comm. 12:2222 (2021) and Leveillee et al. PRB 107, 125207 (2023)
• Portable precision using iso_fortran_env.
• Building with CMake and fpm (fortran package manager).
• Delta function evaulator is chosen outside of the internal summation loops over states.
• Superconductivity app, superconda.
• Set up unit testing with testify.
• Set up Github actions.
• Updated to epw v5.3.1.
• (Experimental) Offloading to accelerators using OpenACC.
• (Experimental) Interface between exciting and elphbolt + superconda.

Removed/no longer supported

• Building with make.
• Old method for electron-charged impurity scattering.

Fixed

• Bug in the units of the spectral alpha/T in the post-processing step.

elphbolt v1.0.1

This version contains a bug-fix for the dipole correction of the electron-phonon interaction and some under-the-hood structural changes.

Summary of changes

Added

• New abstract data type (ADT) called particle. The phonon and electron ADTs are now inherited from particle.

Fixed

• Bug in the dipole correction of the e-ph matrix elements.

elphbolt v1.0.0

This is the first release of elphbolt. Current functionalities include:

• Interfacing with Quantum Espresso/EPW for phonon and Wannierized quantities
• Electron-phonon, phonon-phonon, and various impurity scattering channels
• Decoupled electron and phonon Boltzmann transport equations (BTEs)
• Coupled electron-phonon BTEs to calculate the drag effect
• Solution of the BTEs at the relaxation time approximation (RTA), partial decoupling, and fully self-consistent levels
• Calculation of the electron mobility, thermal conductivity and thermopower
• Calculation of the phonon thermal conductivity and thermopower