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107 Open 2,134 Closed
107 Open 2,134 Closed
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Issues list

abacus failed to recognize the point group of the structure Questions Raise your quesiton! We will answer it.
#6176 opened Apr 28, 2025 by liusss324
1 of 10 tasks
the 'bands_to_print' tag not work Bugs Bugs that only solvable with sufficient knowledge of DFT Questions Raise your quesiton! We will answer it.
#6175 opened Apr 28, 2025 by liusss324
1 of 10 tasks
@mohanchen
1
Bug: Make Build Fails for PW-only Configuration Due to LCAO Dependencies Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#6174 opened Apr 28, 2025 by jieli-matrix
16 tasks
@mohanchen
1
calculation of Born effective charge Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#6168 opened Apr 24, 2025 by MoseyQAQ
14 tasks
@mohanchen
1
The plotted density of states diagram does not have abscisa Performance Issues related to fail running ABACUS
#6162 opened Apr 23, 2025 by Saberg1001
9 tasks
1
Decomposed Mulliken populations in mulliken.txt violate Aufbau principle occupancy limits Questions Raise your quesiton! We will answer it.
#6161 opened Apr 22, 2025 by ahxbcn
1 of 10 tasks
1
ABACUS NAO calculation gets stuck Bugs Bugs that only solvable with sufficient knowledge of DFT
#6158 opened Apr 21, 2025 by ErjieWu
16 tasks
1
BLYP calculations won't run with nspin=2 and the error message is confusing Questions Raise your quesiton! We will answer it.
#6153 opened Apr 16, 2025 by Flying-dragon-boxing
16 tasks
1
Precision Discrepancy of stress between single- and multi-core Bugs Bugs that only solvable with sufficient knowledge of DFT GPU & DCU & HPC GPU and DCU and HPC related any issues
#6142 opened Apr 11, 2025 by Cstandardlib
16 tasks
@pxlxingliang
2
Bug: GPU false results of cell-relax Bugs Bugs that only solvable with sufficient knowledge of DFT GeometryRelaxation Issues related to geometry relaxation GPU & DCU & HPC GPU and DCU and HPC related any issues
#6141 opened Apr 11, 2025 by Cstandardlib
16 tasks
@pxlxingliang
1
HSE calculation with symmetry=1 seems strange, giving EDIFF(outer loop) as large as 1e+7 EXX and lr-TDDFT Related to EXX or lr-TDDFT Questions Raise your quesiton! We will answer it.
#6138 opened Apr 10, 2025 by xuan112358
16 tasks
1
Inconsistent SCF energy with different kpar settings and number of MPI processes/OpenMP threads Questions Raise your quesiton! We will answer it.
#6134 opened Apr 10, 2025 by ahxbcn
16 tasks
Failed to read 8 bytes from input stream at first SCF iteration EXX and lr-TDDFT Related to EXX or lr-TDDFT
#6132 opened Apr 9, 2025 by stilldown
16 tasks
@xuan112358
4
Negative beta rho in DFT calculations Input&Output Suitable for coders without knowing too many DFT details Questions Raise your quesiton! We will answer it.
#6128 opened Apr 8, 2025 by BariumOxide13716
16 tasks
Request: Cartesian_angstrom ATOMIC_POSITIONS should be the default setting for STRU in ABACUS Questions Raise your quesiton! We will answer it.
#6126 opened Apr 8, 2025 by QuantumMisaka
14 tasks
1
The HSE+soc calculation fails to produce a reasonable result in BiTeI system collinear/non-collinear/SOC Issues related to SOC EXX and lr-TDDFT Related to EXX or lr-TDDFT
#6119 opened Apr 7, 2025 by HongSPang
16 tasks
@PeizeLin
1
LDA orbitals and pseudopotential requirements (availabel LDA pseudopotentials) Questions Raise your quesiton! We will answer it. Useful Information Useful information for others to learn/study
#6116 opened Apr 7, 2025 by Shen-Zhen-Xiong
@kirk0830
3
There is a BUG in calculating collinear magnetic system with DFT+U collinear/non-collinear/SOC Issues related to SOC
#6115 opened Apr 6, 2025 by matphy1
@dyzheng
4
Bug: Please enable floatfftw in the cmake to use float fft when precision is set to single using GPU Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#6111 opened Apr 4, 2025 by OutisLi
16 tasks
2
@A-006
dHRx can not be reproduced Questions Raise your quesiton! We will answer it.
#6110 opened Apr 3, 2025 by liangzhixin-202169
16 tasks
3
There are many negative values in the results of partial charge density for ABACUS Questions Raise your quesiton! We will answer it.
#6108 opened Apr 3, 2025 by Lweiweij
@AsTonyshment
1
Test required for new labels in DeePKS. DeePKS Issues related to the DeePKS Unit Tests/Integreate Tests Issues/PR related to unit tests and integrate tests
#6107 opened Apr 3, 2025 by ErjieWu
1
@ErjieWu
1
Support for nspin>1 in DeePKS should be added in the future. DeePKS Issues related to the DeePKS Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#6092 opened Apr 1, 2025 by ErjieWu
@ErjieWu
outlying behavior when running with 2 cores for mixing kinetic energy density Bugs Bugs that only solvable with sufficient knowledge of DFT
#6086 opened Apr 1, 2025 by BariumOxide13716
16 tasks
A bug was encountered while calculating magnetic calculations Bugs Bugs that only solvable with sufficient knowledge of DFT collinear/non-collinear/SOC Issues related to SOC
#6079 opened Mar 30, 2025 by matphy1
@lanshuyue
6
ProTip! Exclude everything labeled bug with -label:bug.