https://github.com/krispy-kenay/vasp-analyzer

Small package to load `vasprun.xml` files and get the data in a format to perform analysis on the spin-splitting of antiferromagnetic materials.
https://github.com/krispy-kenay/vasp-analyzer

altermagnetism density-functional-theory package python vasp-processing

Last synced: about 1 month ago
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Small package to load `vasprun.xml` files and get the data in a format to perform analysis on the spin-splitting of antiferromagnetic materials.

• Host: GitHub
• URL: https://github.com/krispy-kenay/vasp-analyzer
• Owner: krispy-kenay
• License: gpl-3.0
• Created: 2023-04-09T21:03:53.000Z (about 3 years ago)
• Default Branch: main
• Last Pushed: 2024-03-29T10:09:17.000Z (about 2 years ago)
• Last Synced: 2024-03-29T11:26:42.916Z (about 2 years ago)
• Topics: altermagnetism, density-functional-theory, package, python, vasp-processing
• Language: Python
• Homepage:
• Size: 191 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# VASP analyzer

## Features

- Spin-Splitting Calculations: This Python package simplifies analysis of antiferromagnetic materials simulated with VASP. It extracts relevant data from vasprun.xml files, including INCAR parameters, eigenvalues (EIGENVAL), density of states (DOSCAR), and projected electronic density of states (PROCAR).

- Data Extraction and Processing: Focus on the core functionalities – loading specific sections of vasprun.xml for efficient data retrieval.

- Visualization: Generate band structure and density of states (DOS) plots to visualize the electronic behavior of your antiferromagnets.

- Spin-Splitting Calculations: Calculate the spin-splitting values for deeper insights into the magnetic properties of your materials.

## Get-started

Documentation for how to install the package and use its basic features can be found in the [Wiki](https://github.com/krispy-kenay/vasp-analyzer/wiki)