Phonon anharmonicity analysis from molecular dynamics
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Nov 7, 2024 - Python
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phonopy
Here are 15 public repositories matching this topic...
LAMMPS interface for phonon calculations using phonopy
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Aug 29, 2024 - Python
A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
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Aug 19, 2022 - Shell
A phonon irreducible representations calculator
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Apr 11, 2024 - Mathematica
Commands to run VASP jobs automatically. Pre-processing or post-processing
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Jan 8, 2024 - Python
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and ML/AI.
python
machine-learning
molecular-dynamics
phonons
phonopy
vasp
density-functional-theory
spectroscopy
raman
molecular-dynamics-trajectories
polarizability
vibrational-analysis
graph-neural-networks
vasp-calculations
raman-spectroscopy
molecular-dynamics-analysis
raman-spectra
vasp-processing
raman-cross-section
raman-spectrum
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Nov 4, 2024 - Python
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Jul 27, 2021
Python program for analyzing the output files of phonopy.
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Sep 14, 2021 - Python
Converts anisotropic displacement parameters to different parametrizations and can also handle Phonopy output.
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Jan 14, 2019 - MATLAB
A modified version of phonolammps for my personal use.
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Jan 12, 2022 - Python
Friendly Plot Phonon with Phonopy
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Sep 12, 2024 - Python
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