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

VASP Integrated Supporting Environment

Codes for automating standard VASP and VASP-related calculations.

Utility scripts and programs for VASP calculations

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

Implementation of Bardeen and Tersoff-Hamann approximations.

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

Some VASP processing and convergence-testing shell scripts.

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

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.)

Code to create EC interface calculations with VASP and extract data

BASH script

A dhall package for vasp configuration

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

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

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

Transfer XYZ file into POSCAR/CONTCAR file with re-center feature. Useful for single molecule calculation in VASP.