A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

VASP Integrated Supporting Environment

Utility scripts and programs for VASP calculations

Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..

Codes for automating standard VASP and VASP-related calculations.

A web app to help create POSCAR and INCAR files for VASP

Implementation of Bardeen and Tersoff-Hamann approximations.

Code to create EC interface calculations with VASP and extract data

Post-processing tool-set for ab-intio calculations using VASP.

Some VASP processing and convergence-testing shell scripts.

It's an automation script for running VASP.(VASP: Top-tier materials science software using density functional theory for precise electronic structure simulations, vital for predicting material properties and studying chemical reactions.)

A dhall package for vasp configuration

BASH script

Small package to load `vasprun.xml` files and get the data in a format to perform analysis on the spin-splitting of antiferromagnetic materials.

In this repository, you can find some tools designed to post-process the results of VASP simulations.

Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit