API Reference¶
All public symbols in DefectPL are documented here. The pages use mkdocstrings to render docstrings automatically — hover over a symbol name in your IDE or click "Source" in the rendered page to see the implementation.
| Module | Purpose |
|---|---|
defectpl.defectpl |
Photoluminescence, VibrationalSpectra1D, ConfigurationCoordinateDiagram |
defectpl.phonon |
GammaPhononData, force-constant and band-yaml utilities |
defectpl.utils |
Pure-math: \(\Delta Q\), \(S_k\), generating function, IPR |
defectpl.participation_ratio |
P-ratio / IPR from PROCAR |
defectpl.ks_analysis |
Kohn–Sham eigenvalue analysis and plotting |
defectpl.plot |
Plotter — all visualization methods |
defectpl.vasp |
VASP file I/O (OUTCAR, EIGENVAL) |
defectpl.defect_utils |
defect_entry.json, defect_structure_info.json generators |
defectpl.constants |
Physical constants (CODATA) |