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Software such as ChemCraft or GaussView is easy to find for vibrational calculations in gas phase, but I am finding it much more difficult to find good visualization software for phonons. I have attempted to use Phonopy, but found it difficult to actually get to work and I am not certain I am viewing the correct mode.

Using the Quantum Espresso ph.x output, force constants, or phonopy output, what is the best visualization tool for viewing phonons in solids? A GUI or CLI solution meshed with ASE could work well, I don't have a strong preference.

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1 Answer 1

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1. Interactive Phonon visualizer by Materials Cloud

https://interactivephonon.materialscloud.io/

This tool allows to visualize the phonon dispersion calculated with an external software and display graphically the eigenstates, i.e., the normal modes of the lattice vibrations.

With this tool, you can i) visualize the phonon dispersion along a path in the Brillouin Zone ii) visualize interactively a supercell of the crystal structure, where atoms oscillate according to the phonon normal modes of a point selected on the phonon dispersion plot and iii)show the vectors of oscillation, and change the oscillation speed and amplitude enter image description here

2 Phonon Visualizer by Henrique Miranda

https://henriquemiranda.github.io/phononwebsite/phonon.html

This project aims to provide a simple way to visualize the lattice vibrations of different materials. The tool displays an animation of how the atoms vibrate according to any particular mode. By default you can visualize the phonon dispersion of a few selected materials . If you want to see your own calculations, the tool currently support phonon calculations from Abinit, Quantum Espresso and phononpy. enter image description here

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