A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
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Updated
Jul 4, 2024 - Python
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
Implementation of Bardeen and Tersoff-Hamann approximations.
Post-processing tool-set for ab-intio calculations using VASP.
Code to create EC interface calculations with VASP and extract data
A dhall package for vasp configuration
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 web app to help create POSCAR and INCAR files for VASP
Modern Python API for computing Raman spectra from phonon and molecular dynamics calculations. Supports VASP.
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
Small package to load `vasprun.xml` files and get the data in a format to perform analysis on the spin-splitting of antiferromagnetic materials.
Transfer XYZ file into POSCAR/CONTCAR file with re-center feature. Useful for single molecule calculation in VASP.
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