June976 / vasp-elastic-plot

Python scripts used for 2D and 3D materials' Young's Modulus plotting

vasp-elastic-plot

Python scripts used for 2D and 3D materials' Young's Modulus plotting.

Main Function:

• 2DAnisotropicElastic.py: plot 2D materials' anisotropic Young's modulus and Poisson's ratio. Like this:

• 3DAnisotropicElastic.py: plot 3D materials' anisotropic Young's modulus. Like this:

Usage

• The script must be run on a linux system configured with a python3 environment.
• The OUTCAR file generated by vasp elastic constant calculation must exist in the same directory.
• The python3 dependent library is numpy、pandas and matplotlib.
• run python3 2D(3D)AnisotropicElastic.py and you can get figure.

Main reference

• Yalameha, S., Z. Nourbakhsh, and D. Vashaee, ElTools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials. Computer Physics Communications, 2022. 271.

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more details go to: https://www.jun997.xyz/2023/03/09/0311b83de3d4.html

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