Related Issues (20)
- Question about the "ATOMIC_POSITIONS" section in the STRU file for TiO2 polaron calculation HOT 2
- Non-magnetic atoms are magnetized by nupdown constraint HOT 2
- Weekly test: examples bsse test failed at 20240529
- Total energy difference between ABACUS and VASP HOT 2
- Error when compiling test data for the plane wave module
- Bug: negative spillage function value may obtain on special structures HOT 1
- Warning: always use pseudopotential for serious calculation after tests
- Refactor: remove `Local_Orbital_Wfc` class from ABACUS code
- Refactor: the force and stress calculations related to two-center integrals HOT 2
- Perf: Try to accelerate the performance of DiagoCG on GPU
- Question: about the default value setting of parameter `ecutwfc` HOT 1
- ABACUS numerical atomic orbitals for Al/Ti/Zr/Nb/Hf-sp.PD04.PBE.UPF pseudopotentials? HOT 5
- Unable to open mca_btl_openib at 3.6.3 GPU version of abacus HOT 5
- Questions about the default setting for md_pfirst HOT 1
- Note: not all member variables need setter functions HOT 2
- Undefine problem in `source\module_cell\parallel_kpoints.h` HOT 3
- Different converged energy for H_2 molecule on Debian and CentOS HOT 4
- Found a Bug during Integration Test and Unit Test / Test when Trying to Do a PR HOT 1
- Compilation error with the Sugon environment HOT 1
- The output LCAO wavefunction is different by compiled with intel and gnu HOT 1
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