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Phonopy v.4.0.0
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Installation
Rust backend
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
Random displacements
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
ABACUS & phonopy calculation
LAMMPS & phonopy calculation
Questaal & phonopy calculation
VASP-DFPT & phonopy calculation
Auxiliary tools
External tools
Phonopy API for Python
phonopy-yaml format
phonopy command
phonopy-init command
Temperature dependent force constants calculation using pypolymlp and symfc
Formulations
How to cite phonopy
References
Migrating from phonopy v3 to v4
Change Log
Index