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226 Open 1,306 Closed
226 Open 1,306 Closed
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Issues list

LCAO cannot give right elastic constants of NbTiZrHf
#4345 opened Jun 11, 2024 by Luc1anoo
16 tasks
1
remove esolver_ks_pw_too.cpp, esolver_sdft_pw_too.cpp and create a new class to do DOS and Kudo-Greenwood calculation The Absolute Zero Reduce the "entropy" of the code to 0
#4344 opened Jun 11, 2024 by Qianruipku
8 tasks
@Qianruipku
Error: xhegvd failed, linear dependent basis functions in ABACUS-PW-ultrasoft pspot calculation Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4342 opened Jun 11, 2024 by kirk0830
16 tasks
1
Test: our CICD auto test workflow does not work fully as expected Compile & CICD Issues related to compiling ABACUS
#4335 opened Jun 8, 2024 by kirk0830
9 tasks
@caic99
1
Docs of berry phase calculation should be modified with setting symmetry = -1
#4328 opened Jun 7, 2024 by Luc1anoo
1 of 9 tasks
Request: Transition State Optimization in ABACUS itself Feature Discussed The features will be discussed first but will not be implemented soon
#4327 opened Jun 7, 2024 by QuantumMisaka
14 tasks
1
Perf: OOM in 4*32GB DCU Performance Issues related to fail running ABACUS
#4325 opened Jun 7, 2024 by WHUweiqingzhou
9 tasks
@dyzheng
Refactor DiagoDavid to Eliminate External Dependencies on DiagoIterAssist The Absolute Zero Reduce the "entropy" of the code to 0
#4320 opened Jun 6, 2024 by Cstandardlib
2 of 8 tasks
pw_diag_thr should not increase in SCF loop in function set_diagethr()
#4317 opened Jun 6, 2024 by dyzheng
14 tasks
1
Feature: update LibComm to the latest version
#4315 opened Jun 6, 2024 by WHUweiqingzhou
14 tasks
@WHUweiqingzhou
2
The stress and force programs of SDFT and KSDFT can be unified. The Absolute Zero Reduce the "entropy" of the code to 0
#4314 opened Jun 5, 2024 by Qianruipku
8 tasks
@dyzheng
HSE calculation is interrupted without error reports
#4310 opened Jun 5, 2024 by pxlxingliang
9 tasks
@PeizeLin
1
Compilation errors with the GNU environment Compile & CICD Issues related to compiling ABACUS
#4309 opened Jun 5, 2024 by LiuXiaohui123321
@denghuilu
13
Refactor: restart LCAO calculation from wavefunction Plans Plan to do something
#4303 opened Jun 4, 2024 by kirk0830
8 tasks
1
@kirk0830
The output LCAO wavefunction is different by compiled with intel and gnu Input&Output Suitable for coders without knowing too many DFT details
#4297 opened Jun 3, 2024 by pxlxingliang
16 tasks
1
Compilation error with the Sugon environment Compile & CICD Issues related to compiling ABACUS
#4296 opened Jun 3, 2024 by denghuilu
8 of 16 tasks
@denghuilu
1
Found a Bug during Integration Test and Unit Test / Test when Trying to Do a PR Questions Raise your quesiton! We will answer it.
#4293 opened Jun 2, 2024 by HaCTang
16 tasks
@caic99
1
Different converged energy for H_2 molecule on Debian and CentOS High Priority Bugs which needs to be fixed ASAP.
#4291 opened Jun 2, 2024 by kluophysics
16 tasks
@WHUweiqingzhou
4
Undefine problem in source\module_cell\parallel_kpoints.h Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4290 opened Jun 2, 2024 by jwsyzy
8 tasks
3
Question: about the default value setting of parameter ecutwfc Questions Raise your quesiton! We will answer it.
#4283 opened May 31, 2024 by kirk0830
1 of 10 tasks
@WHUweiqingzhou
1
Perf: Try to accelerate the performance of DiagoCG on GPU Performance Issues related to fail running ABACUS
#4275 opened May 30, 2024 by dyzheng
9 tasks
@dyzheng
Refactor: the force and stress calculations related to two-center integrals Refactor Refactor ABACUS codes
#4274 opened May 30, 2024 by WHUweiqingzhou
14 tasks
@WHUweiqingzhou
2
Non-magnetic atoms are magnetized by nupdown constraint Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4255 opened May 28, 2024 by Shen-Zhen-Xiong
16 tasks
@dyzheng
When using cusolver, multithreading is slower than multiprocessing Performance Issues related to fail running ABACUS
#4247 opened May 27, 2024 by xuan112358
9 tasks
Refactor: the constructor && diag functions of dav-subspace class are confusing The Absolute Zero Reduce the "entropy" of the code to 0
#4241 opened May 26, 2024 by haozhihan
8 tasks
@haozhihan
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