Issues

• docs/files.md: infile.stat off-diagonal stress order doesn't match read_from_file (xy, yz, xz)

  tdep-developers/tdep#189 · Filter by author junwen94 opened on Oct 12, 2026
  2

• lineshape: HDF5 output stores the q-point in 1/bohr and the lattice vectors in wrong units

  tdep-developers/tdep#188 · Filter by author ramic-k opened on Oct 11, 2026
  1

• lineshape: tetrahedron three-phonon routine integrates band-swapped matrix elements at the unswapped energy

  tdep-developers/tdep#187 · Filter by author ramic-k opened on Oct 11, 2026
  1

• improvement: check that average structure is close to ssposcar reference

  tdep-developers/tdep#181 · Filter by author mjv500 opened on Jun 28, 2026

• After incorporating fourth-order force constants, the R-squared value is markedly less than 1.0, and corresponding solutions are sought.

  tdep-developers/tdep#180 · Filter by author Ztao0210 opened on Jun 27, 2026
  4

• Issue with extracting 4th-order force constants

  error
  tdep-developers/tdep#178 · Filter by author ZhunyunTang opened on May 29, 2026
  6

• Symmetry tolerance (lo_tol) too tight for cross-architecture reproducibility — "Bad operation Z singlets" on x86_64

  tdep-developers/tdep#176 · Filter by author faridf opened on May 7, 2026

• Feature request: Support for CASTEP input and output files

  tdep-developers/tdep#171 · Filter by author will9508 opened on Mar 6, 2026
  1

• Where can i get 'process_outcar_5.3.py' file

  tdep-developers/tdep#170 · Filter by author KarthiMohanJay opened on Mar 5, 2026

• How to obtain mean free path vs thermal conductivity

  tdep-developers/tdep#169 · Filter by author Guodonglin-cqust opened on Feb 21, 2026
  1

• [ERROR]

  error
  tdep-developers/tdep#166 · Filter by author Subhadeep1994 opened on Jan 30, 2026
  1

• memory leak TODO list

  tdep-developers/tdep#165 · Filter by author mjv500 opened on Jan 29, 2026

• Seeking guidance on sampling strongly anharmonic materials

  tdep-developers/tdep#163 · Filter by author Jarvis-Towne opened on Dec 22, 2025
  2

• Phonon dispersion convergence in Bi2Te3 with s-tdep

  tdep-developers/tdep#162 · Filter by author Vahid999 opened on Dec 11, 2025
  4

• TDEP cannot generate the high-temperature phonon spectrum and fails to parse the primitive cell's OUTCAR.

  error
  tdep-developers/tdep#161 · Filter by author yang-yezi opened on Dec 10, 2025

• Index '3' of dimension 2 of array 'coeff' outside of expected range (1:2)

  tdep-developers/tdep#160 · Filter by author Vahid999 opened on Nov 19, 2025

• failed generating point operations

  tdep-developers/tdep#159 · Filter by author Vahid999 opened on Nov 16, 2025
  4

• [ERROR] Your error message

  error
  tdep-developers/tdep#157 · Filter by author liudadie12138 opened on Oct 24, 2025
  5

• Eigenvector visualization

  tdep-developers/tdep#155 · Filter by author Ssingsen opened on Aug 7, 2025
  1

• Issue with Negative Frequencies in Phonon Dispersion using TDEP

  tdep-developers/tdep#154 · Filter by author Harish-IITB opened on Jul 26, 2025
  6

• infile.ucposcar、 infile.ssposcar、 infile.forces、 infile.meta、 infile.stat文件准备

  tdep-developers/tdep#151 · Filter by author yang-yezi opened on Jul 3, 2025

• [ERROR] Bug report for dump_dynamical_matrices

  error
  tdep-developers/tdep#150 · Filter by author Guodonglin-cqust opened on Jun 26, 2025

• Can tdep calculate how the group velocity of phonon branches changes with frequency at different temperatures?

  tdep-developers/tdep#149 · Filter by author liudadie12138 opened on Jun 21, 2025
  1

• [ERROR] Memory overflow when increasing fourth-order force constant cutoff

  error
  tdep-developers/tdep#147 · Filter by author Lamed-git opened on Jun 18, 2025
  3

• [ERROR] Fail in extracting the force constant: Completely failed labelling point 1

  error
  tdep-developers/tdep#146 · Filter by author YuWu-thermal opened on Jun 13, 2025
  1