ATOMKIT0.9.0 official precompiled standard binary;no claim of local compilerbuild. Source binaries/crystal databases not distributed.
OwnSi8 a5.43A,10 qualified VASP/ABACUS kmesh and primitive paths,6 explicit native compatibility diagnostics. NoDFT/MD/GPU or target-electronic-engine calculations.
Si8 Gamma grids5^3at.04and9^3at.02;Si2primitive8^3at.04. Native VASP linepoints30/61,ABACUS segment counts and U-K break checked;allendpoint coordinates against independent SeeKpath2.2.2 andspglib227.
CP2K/Phonopy/Wannier90 native path endpoints duplicate first component;OpenMX endpoint components missing;Octopus Si8 geometry corrupt;Phonopy mesh nooutput. These native routes are NOT qualified.
export-paths.py writes separate correct full3component kpath fragments from validated native VASP path (or reference input);fragments are not complete targetengine inputs. Allnative originals preserved.
SeeKpath2.2.2,spglib2.7.0,ASE3.29.0,NumPy2.3.5 in existing pymatgen2026.9.24 environment;no installationchanges.
Run:bash run.sh;view:bash show-reference.sh;plot:bash plot-results.sh;convert:source env.sh then "$PYTHON_FOR_ANALYSIS" export-paths.py. Existingwork refusesoverwrite. Ownpersonal~/.atomkit initialized only ifmissing;existing settings bytes preserved.
