Issues 共 12
Error: Unable to reliably match structures with {autosort_tol = }, {unmapped_start_ind = }"
#21 · 1041176461 · 2025-04-11
Fmax does not reach the set value
#20 · lauthirteen · 2025-04-02
[Plan] Route for developing ATST-Tools
#18 · QuantumMisaka · 2024-09-18
[Ongoing] Test for eta suitable for Sella-ABACUS
#17 · QuantumMisaka · 2024-09-18
"ERROR: The property "forces" is not available." raised by neb_make_pymatgen.py
#15 · Luc1anoo · 2024-04-14
WARNING: Total thread number on this node mismatches with hardware availability. This may cause poor performance.
#14 · Luc1anoo · 2024-04-11
ASE Error: "Atoms object has no calculator."
#12 · MoseyQAQ · 2024-03-28
Problems with parallel execution of neb_run or autoneb_run
#11 · kleflick · 2024-01-26
ASE problem: unreasonable init_neb_chain.traj with oxygen vacancy diffusion simulation
#10 · xdzhu · 2024-01-06
parallel problem on SLURM system
#7 · xdzhu · 2023-12-03