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Contains codes to plot Density of States plots using VASP DOSCAR files. The repository also contains a code to determine nearest neighbors using a VASP POSCAR file.

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EvanPayne22/VASP-DOS-and-Nearest-Neighbors

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VASP DOS and Nearest Neighbors Histogram

This repository is supposed to be helpful for displaying the Density of States of a system from the VASP DOSCAR and POSCAR. There is additional script that will determine the distances between the nearest neighbors from a given POSCAR.

doscar_plotter.py

Description

This script produces plots of the density of states of a system. There are tags to display the orbitals, the elements, and just the total density of states. There are additional visualization features to display the orbitals of each element on seperate subplots. If you are using the element tag a POSCAR will be needed as well as the DOSCAR.

Sample Plots

Orbitals

Displays the DOSCAR with orbital contributions

Elements

Displays the DOSCAR with element contributions

Subplots

Displays the DOSCAR in subplots

nearest_neighbor_calculator.py

Description

A code used to generate nearest neighbor graphs between the same or different elements in a supercell. Useful for understanding the bond lengths inside of the system.

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Contains codes to plot Density of States plots using VASP DOSCAR files. The repository also contains a code to determine nearest neighbors using a VASP POSCAR file.

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