hitergelei/Phonon-Vibration-Viewer

Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)

Phonon-Vibration-Viewer (For GPUMD)

Visualizing lattice vibration information from phonon dispersion for primitive atoms.

In this tutorial, we will introduce how to obtain the lattice vibration information and visualize it onto atoms by using GPUMD and OVITO.

We will use a novel fivefive twinned diamond nanowire (5FT-DNWs) stucture as an example (Liang 2021).

The tutorial is jupyter notebook, hope one can enjoy it.

Example:

References

• Liang T, Xu K, Han M, et al. Abnormally High Thermal Conductivity in Fivefold Twinned Diamond Nanowires. arXiv preprint arXiv:2112.13757, 2021.

In the end, we will reached the desired goal.