Issues

• [BUG] GetDynQFromFCSupercell(_parallel): the error passed as fc2 is Fourier-transformed linearly with phases instead of propagating variances

  SSCHAcode/CellConstructor#128 · Filter by author SorBalda opened on Oct 5, 2026

• DiagonalizeSupercell mutates the caller's dynamical matrix (in-place Re() at q = -q + G)

  SSCHAcode/CellConstructor#127 · Filter by author mesonepigreco opened on Aug 10, 2026

• Interpolation differences between different q-grid

  SSCHAcode/CellConstructor#95 · Filter by author yw-fang opened on Apr 22, 2024 · 1.7
  1

• Manually enforced treshold for detection of the imaginary part of real space force constant

  Cleaningenhancement
  SSCHAcode/CellConstructor#94 · Filter by author gjoalland13 opened on Apr 16, 2024 · version 2.0
  1

• Fix the subroutine that identifies if a phonon mode is Raman active.

  bugCleaning
  SSCHAcode/CellConstructor#90 · Filter by author mesonepigreco opened on Feb 19, 2024 · 1.5
  2

• The save_phonopy() method can not generate correct FORCE_CONSTANT file for phonopy when dealing multi-component systems.

  bug
  SSCHAcode/CellConstructor#87 · Filter by author wftao1995 opened on Feb 1, 2024
  2

• Symmetrization of FC with single precision accuracy

  SSCHAcode/CellConstructor#82 · Filter by author mesonepigreco opened on Nov 9, 2023

• Compilation on mac M1 and M2

  Documentation
  SSCHAcode/CellConstructor#75 · Filter by author mesonepigreco opened on Jul 26, 2023

• Comply with PEP 8 and PEP 621 standards

  SSCHAcode/CellConstructor#72 · Filter by author bastonero opened on Jul 12, 2023

• Structure.read_scf does not support ibrav != 0

  SSCHAcode/CellConstructor#69 · Filter by author mesonepigreco opened on Jun 29, 2023

• Segmentation Fault afte the call to Apply_ASR from secondorder and thirdorder modules

  bug
  SSCHAcode/CellConstructor#60 · Filter by author mesonepigreco opened on Feb 14, 2023 · 1.3
  

• Allow imaginary frequencies when computing the spectral function along a path

  SSCHAcode/CellConstructor#52 · Filter by author mesonepigreco opened on May 30, 2022

• Implement also Tensor4

  SSCHAcode/CellConstructor#51 · Filter by author mesonepigreco opened on May 24, 2022 · version 2.0

• Time the Fourier interpolation of tensor2

  enhancement
  SSCHAcode/CellConstructor#50 · Filter by author mesonepigreco opened on May 24, 2022 · version 2.0

• Improve the q_path creation

  enhancement
  SSCHAcode/CellConstructor#49 · Filter by author mesonepigreco opened on May 22, 2022
  

• Add in the developer documentation how to use the GoParallel method

  Documentation
  SSCHAcode/CellConstructor#46 · Filter by author mesonepigreco opened on May 12, 2022 · version 2.0
  

• Update the quantum espresso symmetry modules to the last version

  enhancement
  SSCHAcode/CellConstructor#41 · Filter by author mesonepigreco opened on May 7, 2022

• Complete Support for Quantum ESPRESSO ibrav Convention

  enhancementgood first issuehelp wanted
  SSCHAcode/CellConstructor#10 · Filter by author mesonepigreco opened on May 16, 2020 · 1.5

• Rotational Free Energy calculation

  bug
  SSCHAcode/CellConstructor#4 · Filter by author EffettiCollaterali opened on Jul 19, 2019
  1