Issues

• [BUG] Without Julia, the FC-gradient error is a constant matrix of ones (get_preconditioned_gradient_parallel), so the FC stop criterion is meaningless

  SSCHAcode/python-sscha#435 · Filter by author SorBalda opened on Oct 5, 2026

• Frequency on IR vs Spectral function

  SSCHAcode/python-sscha#434 · Filter by author mind-scraper opened on Sep 25, 2026

• Q-star mismatch for a 2D system with a 2x2x1 q-mesh

  SSCHAcode/python-sscha#433 · Filter by author zym531161943 opened on Sep 24, 2026
  1

• Implement the FLARE on-the-fly machine learning to work also with the SSH Cluster

  enhancement
  SSCHAcode/python-sscha#425 · Filter by author mesonepigreco opened on Jul 22, 2026

• cluster cannot accept SSH connections

  SSCHAcode/python-sscha#393 · Filter by author YqI777 opened on Aug 11, 2025
  1

• Can not Install qe-5.1.0_elph

  SSCHAcode/python-sscha#363 · Filter by author DanChai22 opened on Nov 28, 2024

• Cluster module with active_shell does not work when the cluster displays a banner

  bug
  SSCHAcode/python-sscha#197 · Filter by author mesonepigreco opened on Mar 13, 2024 · 2.0
  1

• Error PyCall while installing with micromamba

  SSCHAcode/python-sscha#178 · Filter by author ccigna opened on Dec 8, 2023
  1

• Error during Symmetrization with custom gradient.

  SSCHAcode/python-sscha#173 · Filter by author JonathanSchmidt1 opened on Nov 7, 2023
  2

• vasp-phonopy-sscha problems

  SSCHAcode/python-sscha#164 · Filter by author caolz opened on Oct 11, 2023
  11

• Need an example SSCHA run with VASP

  SSCHAcode/python-sscha#161 · Filter by author chenyubi14 opened on Sep 27, 2023
  18

• Add an input validation for the cluster

  enhancement
  SSCHAcode/python-sscha#145 · Filter by author mesonepigreco opened on Jul 25, 2023 · 2.0

• Comply with PEP 8 and PEP 621 standards

  SSCHAcode/python-sscha#138 · Filter by author bastonero opened on Jul 12, 2023
  21

• A clearer error message when the cluster fails

  cleaning
  SSCHAcode/python-sscha#137 · Filter by author mesonepigreco opened on Jul 5, 2023 · 1.5

• Restoring the sscha.Relax.SSCHA object from the saved data

  SSCHAcode/python-sscha#105 · Filter by author Kurufinve opened on Sep 12, 2022
  2

• Set a maxtime for the relaxation

  enhancement
  SSCHAcode/python-sscha#90 · Filter by author mesonepigreco opened on May 18, 2022 · 1.2
  

• Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants

  SSCHAcode/python-sscha#84 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  1

  

• More efficient calculation of the third-order force constants: 1. Not passing so often between Python and Fortran (Dorde)

  enhancement
  SSCHAcode/python-sscha#83 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  

• New sampling mechanisms (Sobol, Giustino)

  enhancement
  SSCHAcode/python-sscha#82 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0
  12

  

• Symmetries in the supercell with Q-space symmetrization

  enhancement
  SSCHAcode/python-sscha#81 · Filter by author mesonepigreco opened on May 9, 2022 · 2.0

• error while interpolation of 2x2x2 SSCHA dyn_mat using a 4x4x4 harmonic dyn_mat

  bug
  SSCHAcode/python-sscha#79 · Filter by author mesonepigreco opened on May 6, 2022
  5

  

• 4th order correction D4V breaks symmetry

  bug
  SSCHAcode/python-sscha#53 · Filter by author ionerrea opened on Sep 27, 2021
  2

• Eigenvalues did not converge during minimization

  bug
  SSCHAcode/python-sscha#52 · Filter by author mesonepigreco opened on Jul 29, 2021 · 1.2
  4

• Segmentation Fault in Hessian calculation

  bug
  SSCHAcode/python-sscha#41 · Filter by author mesonepigreco opened on Mar 21, 2021

• The save_bin of ensemble does not save all the info

  SSCHAcode/python-sscha#27 · Filter by author mesonepigreco opened on Jun 19, 2020