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[CodeQual]ABACUS get coredumped when taking Wannier90-related calculations with gamma_only=1

Status: Open.

#7265 In deepmodeling/abacus-develop;

· ZhouXY-PKU opened on Apr 20, 2026

The BPCG test in the 11_PW_GPU test directory has bugs

BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT

GPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issues

Status: Open.

#7220 In deepmodeling/abacus-develop;

· mohanchen opened on Apr 8, 2026

The stress from DFT+U (pw basis) method and GPU device is incorrect.

BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT

DFT+UIssues related to DFT plus U functionIssues related to DFT plus U function

Status: Open.

#7219 In deepmodeling/abacus-develop;

· mohanchen opened on Apr 8, 2026

Feature: change the out_mat_l to use real spherical harmonics

Status: Open.

#7218 In deepmodeling/abacus-develop;

· kirk0830 opened on Apr 8, 2026

ABACUS MD simulation with LCAO runs out of memory after ~37 steps

BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT

MemoryMemory issuesMemory issues

PerformanceIssues related to fail running ABACUSIssues related to fail running ABACUS

Status: Open.

#7209 In deepmodeling/abacus-develop;

· ziyuegao-yoyo opened on Apr 4, 2026

Anomalous large Ga forces for unperturbed 5×5×5 GaAs supercell in v3.10.1 using HSE functional

Long-Time Support (LTS)Issues related to LTS versionIssues related to LTS version

QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.

Status: Open.

#7202 In deepmodeling/abacus-develop;

· spinodal2025 opened on Apr 1, 2026

Errors while running scf: "ERROR! Current core has no plane waves! Please reduce the cores." and "psi_norm <= 0."

BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT

Status: Open.

#7201 In deepmodeling/abacus-develop;

· xinchenhou opened on Apr 1, 2026

When there are multiple sets of erfc_alpha/omega, only the last one would be accepted.

EXX and lr-TDDFTRelated to EXX or lr-TDDFTRelated to EXX or lr-TDDFT

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#7168 In deepmodeling/abacus-develop;

· Flying-dragon-boxing opened on Mar 28, 2026

Parallel efficiency issue

PerformanceIssues related to fail running ABACUSIssues related to fail running ABACUS

Status: Open.

#7132 In deepmodeling/abacus-develop;

· Jiewang11 opened on Mar 25, 2026

output_precalc should not control the output of deepks_obase.npy in DeePKS.

Machine LearningIssues related to the DeePKSIssues related to the DeePKS

Status: Open.

#7127 In deepmodeling/abacus-develop;

· ErjieWu opened on Mar 24, 2026

BUG: USPP hard to converge and yields incorrect magnetic moments

Status: Open.

#7125 In deepmodeling/abacus-develop;

· Cstandardlib opened on Mar 24, 2026

Add some unittests/integrate tests to protect the output of KSDFT/SDFT in plane wave basis.

Features NeededThe features are indeed needed, and developers should have sophisticated knowledgeThe features are indeed needed, and developers should have sophisticated knowledge

InterfacesInterfaces with other packagesInterfaces with other packages

Unit Tests/Integreate TestsIssues/PR related to unit tests and integrate testsIssues/PR related to unit tests and integrate tests

Status: Open.

#7090 In deepmodeling/abacus-develop;

· mohanchen opened on Mar 21, 2026