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improvement: check that average structure is close to ssposcar reference

Status: Open.

#181 In tdep-developers/tdep;

· 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.

Status: Open.

#180 In tdep-developers/tdep;

· Ztao0210 opened on Jun 27, 2026

Issue with extracting 4th-order force constants

error

Status: Open.

#178 In tdep-developers/tdep;

· ZhunyunTang opened on May 29, 2026

[ERROR] Incorrect lattice vectors for BCT structures, issues with polar correction

error

Status: Open.

#177 In tdep-developers/tdep;

· hurricane642 opened on May 21, 2026

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

Status: Open.

#176 In tdep-developers/tdep;

· faridf opened on May 7, 2026

Feature request: Support for CASTEP input and output files

Status: Open.

#171 In tdep-developers/tdep;

· will9508 opened on Mar 6, 2026

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

Status: Open.

#170 In tdep-developers/tdep;

· KarthiMohanJay opened on Mar 5, 2026

How to obtain mean free path vs thermal conductivity

Status: Open.

#169 In tdep-developers/tdep;

· Guodonglin-cqust opened on Feb 21, 2026

[ERROR]

error

Status: Open.

#166 In tdep-developers/tdep;

· Subhadeep1994 opened on Jan 30, 2026

memory leak TODO list

Status: Open.

#165 In tdep-developers/tdep;

· mjv500 opened on Jan 29, 2026

Seeking guidance on sampling strongly anharmonic materials

Status: Open.

#163 In tdep-developers/tdep;

· Jarvis-Towne opened on Dec 22, 2025

Phonon dispersion convergence in Bi2Te3 with s-tdep

Status: Open.

#162 In tdep-developers/tdep;

· Vahid999 opened on Dec 11, 2025