Phonopy v.2.14.0

  • Installation
  • Crystal symmetry
  • Work flow
  • Examples
  • Input files
  • Output files
  • Setting tags
    • How to watch animation
  • Command options
  • Dynamic structure factor
  • Mode Grüneisen parameters
  • Quasi harmonic approximation
  • Interfaces to calculators
    • VASP & phonopy calculation
    • Wien2k & phonopy calculation
    • Quantum ESPRESSO (QE) & phonopy calculation
    • Abinit & phonopy calculation
    • Siesta & phonopy calculation
    • Elk & phonopy calculation
    • CRYSTAL & phonopy calculation
    • DFTB+ & phonopy calculation
    • TURBOMOLE & phonopy calculation
    • CP2K & phonopy calculation
    • FHI-aims & phonopy calculations
    • CASTEP & phonopy calculation
    • Fleur & phonopy calculation
    • VASP-DFPT & phonopy calculation
  • Auxiliary tools
  • External tools
  • Phonopy API for Python
  • phonopy-load command
  • Formulations
  • How to cite phonopy
  • References
  • Change Log
Theme by the Executable Book Project

Documentation

Documentation¶

  • Installation
  • Crystal symmetry
  • Work flow
  • Examples
  • Input files
  • Output files
  • Setting tags
  • Command options
  • Dynamic structure factor
  • Mode Grüneisen parameters
  • Quasi harmonic approximation
  • Interfaces to calculators
  • Auxiliary tools
  • External tools
  • Phonopy API for Python
  • Formulations
  • How to cite phonopy
  • References

© Copyright 2009, Atsushi Togo.