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@mesonepigreco mesonepigreco released this 03 Oct 16:50
· 1 commit to main since this release

Release Notes – Version 1.5

Highlights

  • ** Wigner TDSCHA **

    • Reduces the number of iterations to converge by a factor 2, and enable the calculation of 2ph IR and Raman
  • Meson build system

    • Migration to the Meson build system.
    • Dropped the deprecated installation via numpy.distutils.
    • Full compatibility with Python 3.13 and spglib ≥ 2.2.

New Features

  • Acoustic Sum Rule for 1D systems
    • Implemented enforcement of the acoustic sum rule for 1D materials.

What's Changed

Full Changelog: v1.4...v1.5