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178 Open 1,503 Closed
178 Open 1,503 Closed
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Issues list

Bug: Eigenvalues are too large! in mGGA SCF
#4743 opened Jul 19, 2024 by QuantumMisaka
16 tasks
1
Refactoring: Remove the non-functional 'pdiagh' Pointer in hsolver
#4741 opened Jul 19, 2024 by Cstandardlib
1 of 8 tasks
Bug: Incorrect calculation of partial charge for multi-k-points under both PW and LCAO when symmetry is turned on
#4740 opened Jul 19, 2024 by AsTonyshment
16 tasks
@AsTonyshment
3
Large force difference when set different symemtry_prec
#4739 opened Jul 19, 2024 by pxlxingliang
16 tasks
Refactor: remove globalV in hsolver_pw The Absolute Zero Reduce the "entropy" of the code to 0
#4737 opened Jul 19, 2024 by haozhihan
8 tasks
@haozhihan
RT-TDDFT restart error Input&Output Suitable for coders without knowing too many DFT details
#4736 opened Jul 19, 2024 by 1041176461
16 tasks
@pxlxingliang
3
Test: please avoid using functions and features higher than C++11 even in unittest Compile & CICD Issues related to compiling ABACUS
#4735 opened Jul 19, 2024 by kirk0830
8 tasks
1
4
I would like a detailed explanation document about the output parameters of the running_scf.log, to help understand each parameter. Questions Raise your quesiton! We will answer it.
#4732 opened Jul 18, 2024 by duousername1
10 tasks done
1
using DFT+U during TDDFT Questions Raise your quesiton! We will answer it.
#4728 opened Jul 17, 2024 by Satinelamp
14 tasks
@dyzheng
1
output occupation of KS state in TDDFT Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#4714 opened Jul 16, 2024 by Satinelamp
14 tasks
@AsTonyshment
LCAO has memory problems Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4712 opened Jul 16, 2024 by Qianruipku
16 tasks
3
Unoccupied state energy mismatches with q-e results when using PBE functionals in LibXC in PW basis Questions Raise your quesiton! We will answer it.
#4695 opened Jul 14, 2024 by Flying-dragon-boxing
16 tasks
5
Bug: ABACUS PW cannot run with pseudo-hydrogen pseudopotential may due to numerical instability Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4694 opened Jul 14, 2024 by kirk0830
16 tasks
@Qianruipku
3
input and globalV should be removed The Absolute Zero Reduce the "entropy" of the code to 0
#4692 opened Jul 14, 2024 by Qianruipku
8 tasks
@Qianruipku
Improve operator's performance Performance Issues related to fail running ABACUS
#4677 opened Jul 12, 2024 by denghuilu
3 of 9 tasks
@denghuilu
using velocity gauge is much slower than length gauge in TDDFT Performance Issues related to fail running ABACUS
#4664 opened Jul 12, 2024 by Satinelamp
9 tasks
@AsTonyshment @ESROAMER
1
User-Controlled DOS and PDOS Outputs in ABACUS's out_dos Input&Output Suitable for coders without knowing too many DFT details
#4660 opened Jul 12, 2024 by Chentao168
14 tasks
@Chentao168
Request for non-collinear functional needed in gks and spin spiral calculation( directly setting q vector) Feature Discussed The features will be discussed first but will not be implemented soon
#4652 opened Jul 11, 2024 by YuleZhang936
14 tasks
@dyzheng
Test: should we also make CI test by using Intel Env? Compile & CICD Issues related to compiling ABACUS
#4643 opened Jul 11, 2024 by WHUweiqingzhou
9 tasks
@WHUweiqingzhou @pxlxingliang
2
Refactor: hsolver_pw class needs to be reorganized The Absolute Zero Reduce the "entropy" of the code to 0
#4634 opened Jul 10, 2024 by haozhihan
8 tasks
1
@haozhihan
Magnetic computational relaxation problems non-collinear+SOC Issues related to SOC
#4626 opened Jul 10, 2024 by cup-matianyou
1 of 16 tasks
@dyzheng
1
RT-TDDFT abnormally interrupted Questions Raise your quesiton! We will answer it.
#4617 opened Jul 9, 2024 by 1041176461
16 tasks
@AsTonyshment
6
Tests: We need update some reference data of integrated tests Refactor Refactor ABACUS codes
#4615 opened Jul 9, 2024 by WHUweiqingzhou
9 tasks
@WHUweiqingzhou
Unconverged relaxation of Selenium Questions Raise your quesiton! We will answer it.
#4611 opened Jul 9, 2024 by swome
16 tasks
@WHUweiqingzhou
Inappropriate integration testing 933_NO_H_dzp_ns2_GPU Questions Raise your quesiton! We will answer it.
#4607 opened Jul 8, 2024 by A-006
9 tasks
@haozhihan
ProTip! Exclude everything labeled bug with -label:bug.