Phonon anharmonicity analysis from molecular dynamics
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Updated
Jul 23, 2024 - Python
Phonon anharmonicity analysis from molecular dynamics
LAMMPS interface for phonon calculations using phonopy
A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
A phonon irreducible representations calculator
Python program for analyzing the output files of phonopy.
Commands to run VASP jobs automatically. Pre-processing or post-processing
Converts anisotropic displacement parameters to different parametrizations and can also handle Phonopy output.
A modified version of phonolammps for my personal use.
Efficiently calculate Raman spectra from first principles calculations.
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