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122 Open 1,934 Closed
122 Open 1,934 Closed
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Issues list

The scf step number of density-matrix pulay mixing is much larger than before Questions Raise your quesiton! We will answer it.
#5640 opened Nov 28, 2024 by PeizeLin
16 tasks
@WHUweiqingzhou
The result with symmetry 0 and 1 is different Symmetry This issue is related to symmetry
#5638 opened Nov 28, 2024 by pxlxingliang
16 tasks
The integrate test of 312_NO_GO_wfc_get_wf is break Bugs Bugs that only solvable with sufficient knowledge of DFT
#5635 opened Nov 28, 2024 by pxlxingliang
9 tasks
The daily PW test failed at 20241128 Questions Raise your quesiton! We will answer it.
#5633 opened Nov 28, 2024 by pxlxingliang
9 tasks
@dyzheng
1
Was module_cell/support/KPT3 deleted, or does it not exist? Questions Raise your quesiton! We will answer it.
#5624 opened Nov 27, 2024 by A-006
1 of 10 tasks
Should nscf support cal_stress or cal_force? Questions Raise your quesiton! We will answer it.
#5619 opened Nov 26, 2024 by Qianruipku
16 tasks
@WHUweiqingzhou
2
Need subspace diagonalization without scc Refactor Refactor ABACUS codes
#5615 opened Nov 26, 2024 by Cstandardlib
14 tasks
Using my own code for calculating dipole Questions Raise your quesiton! We will answer it.
#5612 opened Nov 26, 2024 by kenan12138
1 of 10 tasks
3
The UT of the output and read of hcontainer is break. Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5606 opened Nov 26, 2024 by pxlxingliang
9 tasks
@dyzheng
1
Bug: ABACUS crashes with some ecutwfc-ecutrho pair setting when using norm-conserving pseudopotential Bugs Bugs that only solvable with sufficient knowledge of DFT
#5597 opened Nov 25, 2024 by kirk0830
16 tasks
@kirk0830 @YuLiu98
1
Bug: ABACUS cannot get SCF convergence with combined use of ultrasoft and norm-conserving pseudopotential Bugs Bugs that only solvable with sufficient knowledge of DFT
#5596 opened Nov 25, 2024 by kirk0830
16 tasks
@YuLiu98
2
Hard-coded variables in DFT code Refactor Refactor ABACUS codes
#5594 opened Nov 25, 2024 by BariumOxide13716
8 tasks
@BariumOxide13716
1
The results of PWLDA XC are different from QE Questions Raise your quesiton! We will answer it.
#5591 opened Nov 25, 2024 by Qianruipku
16 tasks
The HSE calculation in v3.8.3 is 64% slower than in v3.8.0 EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5587 opened Nov 24, 2024 by Chentao168
16 tasks
@WHUweiqingzhou
2
SOC energy band is incorrect non-collinear/SOC Issues related to SOC Questions Raise your quesiton! We will answer it.
#5585 opened Nov 23, 2024 by woyolo990422
16 tasks
@dyzheng
1
Bug: init_wfc nao doesn't support gpu Bugs Bugs that only solvable with sufficient knowledge of DFT
#5578 opened Nov 23, 2024 by dzzz2001
16 tasks
2
Bugs: relaxation calculations is hard to converge GeometryRelaxation Issues related to geometry relaxation
#5573 opened Nov 22, 2024 by WHUweiqingzhou
16 tasks
1
Bugs: Equivalent configurations yield different results after relaxation calculations. GeometryRelaxation Issues related to geometry relaxation
#5572 opened Nov 22, 2024 by WHUweiqingzhou
16 tasks
Bug: memory leak detected in integrated test case 312_NO_GO_wfc_get_wf Bugs Bugs that only solvable with sufficient knowledge of DFT
#5566 opened Nov 22, 2024 by kirk0830
16 tasks
Compiling failure when DEBUG_INFO=ON due to module_vdw Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5555 opened Nov 21, 2024 by dyzheng
16 tasks
@dyzheng
1
unregular behaviour while using different cpus combination Large Systems Issues related to large-size systems Questions Raise your quesiton! We will answer it.
#5548 opened Nov 21, 2024 by JTaozhang
16 tasks
@YuLiu98
7
Bandgap values are not the same in running_nscf.log and energy band diagram Being Solved Questions Raise your quesiton! We will answer it.
#5527 opened Nov 19, 2024 by yycx1111
16 tasks
@ErjieWu
2
HSE calculations encountered "corrupted size vs. prev_size" EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5520 opened Nov 18, 2024 by Chentao168
16 tasks
3
Bug: Build Fail while install with OneAPI 2025.0.0 and some add-on plugins in using toolchain Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5518 opened Nov 18, 2024 by QuantumMisaka
16 tasks
3
Davidson GPU has bug Bugs Bugs that only solvable with sufficient knowledge of DFT Diago Issues related to diagonalizaiton methods GPU & DCU & HPC GPU and DCU and HPC related any issues
#5497 opened Nov 15, 2024 by Qianruipku
16 tasks
@Cstandardlib
5
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