Issues

• [Feature Request] Support substitutional mass disorder in total SED

  AI4MD-lab/pySED#109 · Filter by author Tingliangstu opened on Nov 9, 2026

• How to extract phonon group velocities and mean free paths from SED?

  AI4MD-lab/pySED#98 · Filter by author Tingliangstu opened on Nov 3, 2026
  1

• Question about prim_unitcell, physical q-vectors, and using non-primitive cells in pySED

  AI4MD-lab/pySED#75 · Filter by author xiaohetangshui23 opened on Sep 20, 2026
  1

• [Feature Request] Support for defect structures / Custom atom counts in basis.in

  AI4MD-lab/pySED#58 · Filter by author xiaohetangshui23 opened on Jun 10, 2026
  2

• Compare the temperature-dependent phonon disperison from pysed between TEDP and DynaPhoPy.

  enhancement
  AI4MD-lab/pySED#45 · Filter by author Tingliangstu opened on Mar 7, 2026
  

• Add Partial spectral energy density

  enhancement
  AI4MD-lab/pySED#39 · Filter by author Tingliangstu opened on Jan 20, 2026
  8

• Add eigenvector for SED calculation？

  enhancement
  AI4MD-lab/pySED#38 · Filter by author Tingliangstu opened on Dec 17, 2025

• How to generate more accurate phonon lifetime

  enhancement
  AI4MD-lab/pySED#32 · Filter by author Tingliangstu opened on Nov 15, 2025
  1

• Use PYSED to calculate the polar material

  enhancement
  AI4MD-lab/pySED#31 · Filter by author Tingliangstu opened on Nov 13, 2025
  4