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  • User Guide
  • User support
  • API reference
  • Release notes
  • Contributor`s guide
  • Whom to cite?
  • GitHub
  • PyPI

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Installation and stability

  • Installation
  • Development and stability

Definitions and conventions

  • Basic notation
  • Which cell?
  • Bravais lattices

Fundamentals and usage

  • Key concepts
  • Visualization
  • Manipulations with cell
  • Manipulations with crystal
  • K points
  • Interface to Spglib
  • Other functions
  • Input-output

Methods and algorithms

  • Niggli reduction
  • Wulfric user guide

Wulfric user guide#

Installation and stability

  • Installation
  • Development and stability

Definitions and conventions

  • Basic notation
    • Cell
    • Position of atom
    • Reciprocal cell
    • K-points
    • Transformation of the cell
    • Rotation of the cell
  • Which cell?
    • Cell's choice
    • Cell's derivatives
  • Bravais lattices
    • Hinuma, Pizzi, Kumagai, Oba, Tanaka (HPKOT)
    • Setyawan and Curtarolo (SC)

Fundamentals and usage

  • Key concepts
    • Cell
    • Atoms
    • Crystal
    • K-path
  • Visualization
    • Visualization backend
    • Examples
  • Manipulations with cell
    • Cell parameters
    • Reciprocal lattice
    • Examples of Bravais lattices
    • References
  • Manipulations with crystal
    • Choice of the cell
    • Atom's names
    • Atom's species
    • Atom's positions
    • Pair of atoms
  • K points
    • Raw data
    • Kpoints class
  • Interface to Spglib
  • Other functions
    • Comparing of numbers
    • Parallelepiped
    • Volume and angle
    • Spherical coordinates
    • References
  • Input-output
    • VASP

Methods and algorithms

  • Niggli reduction

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