2.1.0

• Update finite-size defect corrections implementations:
  • pydefect used directly for eFNV correction (with optimisation for efficiency). Moreover, the
    fully relaxed defect structure (with defect site determined by doped) is used.
  • FNV correction now uses optimised version of pymatgen-analysis-defects implementation.
  • Updated corrections plotting (much nicer formats, more informative etc)
  • The actual energy error in the correction is now estimated, and the user is warned if this exceeds
    error_tolerance (optional parameter, 0.05 eV by default)
  • Bandfilling corrections no longer automatically calculated as (1) almost always not recommended
    and (2) will show an example of calculating these if needed using our code in pymatgen on the docs
• Efficiency improvements in obtaining defect site info (Wyckoff positions)
• Additional utils and functions for defect generation and manipulation.
• (Many) updated tests.
• Added functionality for robustly determining the point group symmetry of relaxed defects 🔥