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eig_occ.txtis written in append modeQuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7751 In deepmodeling/abacus-develop;- Status: Open.#7750 In deepmodeling/abacus-develop;
Bugs found in 17_DS_DFTU directory
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTDFT+UIssues related to DFT plus U functionIssues related to DFT plus U functionStatus: Open.#7742 In deepmodeling/abacus-develop;Noncollinear GGA gradient methods (gga_grad) and build/test infrastructure cleanup
Feature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonStatus: Open.#7730 In deepmodeling/abacus-develop;Subspace acceleration for LCAO spin-constrained DFT (opt-in)
Feature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonStatus: Open.#7729 In deepmodeling/abacus-develop;DeltaSpin for PW basis (nspin=1/2/4), lambda update strategies, and direction_only mode
Feature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonStatus: Open.#7728 In deepmodeling/abacus-develop;GPU fixes and optimization for Diago_DavSubspace, plus paged GPU memory mode (PAGED_GPU)
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTGPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesStatus: Open.#7727 In deepmodeling/abacus-develop;Fix and extend DFT+U for PW basis (nspin=1/2/4), occupation matrix mixing, and onsite kernel corrections
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTGPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesRefactorRefactor ABACUS codesRefactor ABACUS codesStatus: Open.#7726 In deepmodeling/abacus-develop;symmetrize_rho slow on large systems for OFDFT
PerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7724 In deepmodeling/abacus-develop;Audit INPUT reset semantics and formalize final parameter validation
Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUSInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsRefactorRefactor ABACUS codesRefactor ABACUS codesStatus: Open.#7719 In deepmodeling/abacus-develop;PW/BPCG DFT+U GPU crash at the first SCF iteration for Cr2O3 with CUSOLVER_STATUS_INTERNAL_ERROR
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTDFT+UIssues related to DFT plus U functionIssues related to DFT plus U functionStatus: Open.#7699 In deepmodeling/abacus-develop;EXX_DEV is based on LibRI features that are not yet in master branch
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTEXX and lr-TDDFTRelated to EXX or lr-TDDFTRelated to EXX or lr-TDDFTStatus: Open.#7687 In deepmodeling/abacus-develop;