API documentation

The sisl package consists of a variety of sub packages enabling different routines for electronic structure calculations.

• sisl (sisl)
  • Generic classes
  • Advanced classes
• Common geometries (sisl.geom)
  • Basic
  • 2D materials
  • Nanotube
  • Others
• Physical objects (sisl.physics)
  • Brillouin zone (brillouinzone)
  • Spin configuration
  • Physical quantites
  • Electrons (electron)
  • Phonons (phonon)
  • Bloch’s theorem (bloch)
  • Distribution functions (distribution)
  • Low level objects
• Input/Output (sisl.io)
  • Basic IO methods/classes
  • Generic files
  • BigDFT (bigdft)
  • GULP (gulp)
  • OpenMX (openmx)
  • ScaleUp (scaleup)
  • Siesta (siesta)
  • TranSiesta (siesta)
  • TBtrans (tbtrans)
  • VASP (vasp)
  • Wannier90 (wannier90)
  • Low level methods/classes
• Physical constants (sisl.constant)
• Unit conversion (sisl.unit)
  • Default unit conversion utilities
• Shapes (sisl.shape)
  • Shape
  • Cuboid
  • Cube
  • Ellipsoid
  • Sphere
  • NullShape
• Utility routines (sisl.utils)
  • Range routines
  • Miscellaneous routines