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the setting of ocp_set for multi-k-points system in tddft.
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#5891
opened Feb 10, 2025 by
Jweijian
1 of 10 tasks
Feature: Implement k-point Continuity Wavefunction Initialization Strategy
#5888
opened Feb 8, 2025 by
jieli-matrix
14 tasks
Discussion: contradict keywords ecutwfc and ecutrho in LCAO case
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#5885
opened Feb 6, 2025 by
kirk0830
1 of 10 tasks
Segmentation fault likely due to hse
Questions
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#5884
opened Feb 3, 2025 by
Vahid999
16 tasks
Two lines of code initializing the nmaxgr variable that do not appear to have any effect.
Questions
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#5876
opened Jan 23, 2025 by
goodchong
16 tasks
The performance of the dav_subspace algorithm has declined compared to the previous version.
Performance
Issues related to fail running ABACUS
#5875
opened Jan 23, 2025 by
dyzheng
9 tasks
elpa-gpu compilation error
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#5872
opened Jan 19, 2025 by
tang070205
1 of 10 tasks
What does "init_wfc=file" mean in LCAO?
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#5868
opened Jan 18, 2025 by
Qianruipku
1 of 10 tasks
An option for user to output relative energy in ABACUS
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#5851
opened Jan 12, 2025 by
QuantumMisaka
14 tasks
Too many dependencies for module_elecstate/test
Questions
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Refactor
Refactor ABACUS codes
#5836
opened Jan 8, 2025 by
Cstandardlib
16 tasks
Discussion: large discrepency on EOS of CrO3 system yielded when changing Issues related to fail running ABACUS
pseudo_rcut
and pseudo_mesh
Performance
#5832
opened Jan 8, 2025 by
kirk0830
16 tasks
'Grid_Technique::init_atoms_on_grid warning : No atom on this sub-FFT-mesh' in warning.log when running lcao relax
Questions
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#5822
opened Jan 6, 2025 by
JHWang1001
16 tasks
DCU Compile error
Compile & CICD & Docs & Dependencies
Issues related to compiling ABACUS
GPU & DCU & HPC
GPU and DCU and HPC related any issues
#5806
opened Jan 3, 2025 by
Cstandardlib
16 tasks
spin contamination
Questions
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#5804
opened Jan 3, 2025 by
lyf-ustc
find symmetry for magnetic calculation
Symmetry
This issue is related to symmetry
#5803
opened Jan 3, 2025 by
lyf-ustc
2 of 16 tasks
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
BAD TERMINATION when output
Questions
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#5796
opened Jan 2, 2025 by
Shen-Zhen-Xiong
16 tasks
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
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
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
high throughput calculation problem
Questions
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#5776
opened Dec 27, 2024 by
JTaozhang
16 tasks
Question: What is the highest supported version of Libxc in ABACUS?
Questions
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#5774
opened Dec 26, 2024 by
AsTonyshment
1 of 10 tasks
abacus-plot -b can't recognize the keyword 'efermi' 'energy_r',when I change them, the results still keep unchange.
Questions
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#5769
opened Dec 26, 2024 by
gx-dft
16 tasks
The readability of type 'hpsi_info' maybe is poor
Compile & CICD & Docs & Dependencies
Issues related to compiling ABACUS
#5768
opened Dec 26, 2024 by
haozhihan
8 tasks
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