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  • API reference
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    • Contributor`s guide
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  • Installation
  • User Guide
  • API reference
  • Release notes
  • Contributor`s guide
  • How to cite us?
  • Support
  • GitHub
  • PyPI

Section Navigation

  • Installation
  • Development and stability
  • Basic notation
  • Which cell?
  • Bravais lattices
  • Package structure
  • Key concepts
  • Manipulations with cell
  • K points
  • Manipulations with atoms and cell
  • Other functions
  • Input-output
  • Visualization
  • LePage algorithm
  • Niggli reduction
  • Wulfric user guide

Wulfric user guide#

Installations and version#

  • Installation
  • Development and stability

Definitions and conventions#

  • Basic notation
  • Which cell?
  • Bravais lattices

Fundamentals and usage#

  • Package structure
  • Key concepts
    • Cell
    • Atoms
    • Crystal
    • K-path
  • Manipulations with cell
    • Cell parameters
    • Reciprocal lattice
    • Bravais lattices
    • Standardization
    • Conventional cell
    • References
  • K points
    • K-points data
    • Kpoints class
  • Manipulations with atoms and cell
    • Atom's names
    • Atom's species
    • Pair of atoms
    • Standardization
    • Translation equivalence
  • Other functions
    • Comparing of numbers
    • Parallelepiped
    • Volume and angle
    • Relative vs absolute
    • Spherical coordinates
    • Pretty array printing
    • References
  • Input-output
    • VASP
  • Visualization
    • Plotting with Plotly
    • Plotting with Matplotlib

Methods and algorithms#

  • LePage algorithm
  • Niggli reduction

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