/VASP_helper

Tool to help you analyze and visualize the results from VASP (Band structure BS, DOS, pDOS)

Primary LanguageJupyter Notebook

About The Project

This tool is designed to help you analyze and visualize the results obtained from VASP simulations (Band structure, density of states DOS, pDOS). It simplifies the process of interpreting complex data, remaining accessibly simple to adjust the code for your needs.

Features:

  • Visualization: Generate clear and informative visualizations to better understand your simulation results.
  • Ready-to-use visualization methods: Simple and intuitive interface for efficient workflow.
  • Wannier90 hamiltonian loading and BS plotting

There are only 2 files to examine!!! and the idea is to modify them for your personal needs fast. Use example to get started.

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Getting Started

This is an example of how you may give instructions on setting up your project locally. To get a local copy up and running follow these simple example steps.

Prerequisites

  • pymatgen
    pip install pymatgen

Contact

Egor Agapov - agapov.em@phystech.edu Project Link: https://github.com/EgorcaA/VASP_helper

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