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100 Open 2,042 Closed
100 Open 2,042 Closed
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Issues list

out_wfc_lcao 2 appends output wavefunction data to initial LCAO wavefunction file read by init_wfc nao Questions Raise your quesiton! We will answer it.
#5913 opened Feb 20, 2025 by ahxbcn
1 of 10 tasks
1
Need uniform LAPACK Encapsulation for Better Maintainability
#5911 opened Feb 20, 2025 by Cstandardlib
2
Can‘t compile with USE_CUDA=1 and ENABLE_DEEPKS=1 simultaneously DeePKS Issues related to the DeePKS GPU & DCU & HPC GPU and DCU and HPC related any issues
#5910 opened Feb 19, 2025 by xuan112358
16 tasks
1
Calculation of bandgap using SCAN functional Questions Raise your quesiton! We will answer it.
#5901 opened Feb 17, 2025 by yycx1111
16 tasks
@ErjieWu
8
Problems encountered in DFT+U+noncollinear spin calculation of NSCF or SCF non-collinear/SOC Issues related to SOC
#5899 opened Feb 14, 2025 by GRCaaaa
16 tasks
Size mismatch for pdm in equivariant version of DeePKS. DeePKS Issues related to the DeePKS
#5895 opened Feb 13, 2025 by ErjieWu
16 tasks
@ErjieWu
Bug: It seems that the electric field force in RT-TDDFT is not applied at all, and the wrong function was called as well Bugs Bugs that only solvable with sufficient knowledge of DFT MD & LAM MD and Larege Atomic Models
#5894 opened Feb 11, 2025 by AsTonyshment
@AsTonyshment
This pre-commit-ci bot seems to dislike my pull request and refused to run. Questions Raise your quesiton! We will answer it.
#5893 opened Feb 11, 2025 by Critsium-xy
16 tasks
@Critsium-xy
Feature: Implement k-point Continuity Wavefunction Initialization Strategy Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5888 opened Feb 8, 2025 by jieli-matrix
14 tasks
1
elpa-gpu compilation error Questions Raise your quesiton! We will answer it.
#5872 opened Jan 19, 2025 by tang070205
1 of 10 tasks
@haozhihan
2
What does "init_wfc=file" mean in LCAO? Questions Raise your quesiton! We will answer it.
#5868 opened Jan 18, 2025 by Qianruipku
1 of 10 tasks
1
@YuLiu98
1
Too many dependencies for module_elecstate/test Questions Raise your quesiton! We will answer it. Refactor Refactor ABACUS codes
#5836 opened Jan 8, 2025 by Cstandardlib
16 tasks
@Cstandardlib
Discussion: large discrepency on EOS of CrO3 system yielded when changing pseudo_rcut and pseudo_mesh Performance Issues related to fail running ABACUS
#5832 opened Jan 8, 2025 by kirk0830
16 tasks
@Cstandardlib
2
spin contamination EXX and lr-TDDFT Related to EXX or lr-TDDFT Questions Raise your quesiton! We will answer it.
#5804 opened Jan 3, 2025 by lyf-ustc
4
find symmetry for magnetic calculation Symmetry This issue is related to symmetry
#5803 opened Jan 3, 2025 by lyf-ustc
2 of 16 tasks
1
Crashing at the end of the scf calculation Bugs Bugs that only solvable with sufficient knowledge of DFT DFT+U Issues related to DFT plus U function
#5800 opened Jan 3, 2025 by summitmoon
9 tasks
@dyzheng
2
BAD TERMINATION when output Questions Raise your quesiton! We will answer it.
#5796 opened Jan 2, 2025 by Shen-Zhen-Xiong
16 tasks
@YuLiu98
5
start_magnetization in magnetism.cpp should be refactored Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#5787 opened Dec 31, 2024 by mohanchen
@sunliang98
Symmetry for magnetic calculation Bugs Bugs that only solvable with sufficient knowledge of DFT Symmetry This issue is related to symmetry
#5786 opened Dec 30, 2024 by kluophysics
@dyzheng
8
Length gague rt-tddft terminated during current calculation Bugs Bugs that only solvable with sufficient knowledge of DFT
#5784 opened Dec 30, 2024 by ESROAMER
16 tasks
@AsTonyshment
abacus-plot -b can't recognize the keyword 'efermi' 'energy_r',when I change them, the results still keep unchange. Questions Raise your quesiton! We will answer it.
#5769 opened Dec 26, 2024 by gx-dft
16 tasks
@Chentao168
1
A question about the code for reading pseudopotentials non-collinear/SOC Issues related to SOC Questions Raise your quesiton! We will answer it.
#5757 opened Dec 24, 2024 by A-006
16 tasks
3
The function of checking the format of the training dataset needs to be enhanced in deepks DeePKS Issues related to the DeePKS Refactor Refactor ABACUS codes
#5747 opened Dec 20, 2024 by Chentao168
14 tasks
@ErjieWu
When outputting a DMR sparse format matrix, the ordering definition in R differs from that in HR. Feature Discussed The features will be discussed first but will not be implemented soon Input&Output Suitable for coders without knowing too many DFT details
#5741 opened Dec 18, 2024 by goodchong
14 tasks
@ErjieWu
NSPIN2 different with NSPIN1 with LIBXC Bugs Bugs that only solvable with sufficient knowledge of DFT
#5734 opened Dec 16, 2024 by dyzheng
16 tasks
@PeizeLin
3
ProTip! no:milestone will show everything without a milestone.