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soc energy band can not be cal correctly!

Status: Open.

#5585 In deepmodeling/abacus-develop;

· woyolo990422 opened on Nov 23, 2024

Bug: init_wfc nao doesn't support gpu

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

Status: Open.

#5578 In deepmodeling/abacus-develop;

· dzzz2001 opened on Nov 23, 2024

format issues in online manual

Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUS

Status: Open.

#5575 In deepmodeling/abacus-develop;

· BariumOxide13716 opened on Nov 22, 2024

Bugs: relaxation calculations is hard to converge

GeometryRelaxationIssues related to geometry relaxationIssues related to geometry relaxation

Status: Open.

#5573 In deepmodeling/abacus-develop;

· WHUweiqingzhou opened on Nov 22, 2024

Bugs: Equivalent configurations yield different results after relaxation calculations.

GeometryRelaxationIssues related to geometry relaxationIssues related to geometry relaxation

Status: Open.

#5572 In deepmodeling/abacus-develop;

· WHUweiqingzhou opened on Nov 22, 2024

Bug: memory leak detected in integrated test case 312_NO_GO_wfc_get_wf

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

Status: Open.

#5566 In deepmodeling/abacus-develop;

· kirk0830 opened on Nov 22, 2024

Compiling failure when DEBUG_INFO=ON due to module_vdw

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

Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUS

Status: Open.

#5555 In deepmodeling/abacus-develop;

· dyzheng opened on Nov 21, 2024

unregular behaviour while using different cpus combination

Large SystemsIssues related to large-size systemsIssues related to large-size systems

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

Status: Open.

#5548 In deepmodeling/abacus-develop;

· JTaozhang opened on Nov 21, 2024

ABACUS tool support CPU with ARM64 and NPU with Huawei 910B?

Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUS

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

Status: Open.

#5537 In deepmodeling/abacus-develop;

· somunslotus1 opened on Nov 20, 2024

Bandgap values are not the same in running_nscf.log and energy band diagram

Being Solved

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

Status: Open.

#5527 In deepmodeling/abacus-develop;

· yycx1111 opened on Nov 19, 2024

HSE calculations encountered "corrupted size vs. prev_size"

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

Status: Open.

#5520 In deepmodeling/abacus-develop;

· Chentao168 opened on Nov 18, 2024

Bug: Build Fail while install with OneAPI 2025.0.0 and some add-on plugins in using toolchain

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

Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUS

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

Status: Open.

#5518 In deepmodeling/abacus-develop;

· QuantumMisaka opened on Nov 18, 2024