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Phonopy v.2.33.3
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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
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
VASP-DFPT & phonopy calculation
Auxiliary tools
External tools
Phonopy API for Python
phonopy-yaml format
phonopy-load command
Temperature dependent force constants calculation using pypolymlp and symfc
Formulations
How to cite phonopy
References
Change Log
.rst
.pdf
FHI-aims & phonopy calculations
FHI-aims & phonopy calculations
#
See
example/diamond-FHI-aims
in the
phonopy
source.