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v1.1

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@nakib nakib released this 13 Oct 14:10

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.