A collection of scripts to interpret/organize VASP output files
☆24Oct 13, 2016Updated 9 years ago
Alternatives and similar repositories for VASP
Users that are interested in VASP are comparing it to the libraries listed below
Sorting:
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- Manipulating VASP files with Python.☆292Jun 19, 2022Updated 3 years ago
- ☆17Aug 29, 2017Updated 8 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 9 months ago
- New ASE compliant Python interface to VASP☆146Jan 31, 2026Updated last month
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Aug 30, 2019Updated 6 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ☆129Feb 21, 2019Updated 7 years ago
- A plugin to AiiDA for running simulations with VASP☆60Updated this week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated last month
- A Python suite for manipulating VASP input and output☆49Nov 6, 2025Updated 4 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆45Jan 20, 2025Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆124Oct 23, 2022Updated 3 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆36Apr 19, 2024Updated last year
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Crsytal simulation tools☆10Updated this week
- Useful scripts for VASP☆201Dec 28, 2021Updated 4 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 2 years ago
- p4vasp, the VASP Visualization Tool☆155May 21, 2022Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆141Nov 27, 2025Updated 3 months ago
- python enhancements of ase.calculators.vasp☆28Jun 3, 2016Updated 9 years ago
- A physics computational framework for python and ipython☆39Jul 11, 2025Updated 8 months ago
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具☆75Sep 18, 2020Updated 5 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 3 months ago
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆18Feb 2, 2017Updated 9 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆182Jan 7, 2026Updated 2 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆125Feb 22, 2022Updated 4 years ago
- Practical guide on how to use VASP☆26Jul 14, 2020Updated 5 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 4 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Nov 20, 2024Updated last year
- Automatic generation of crystal structure descriptions.☆133Updated this week
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆271Mar 9, 2026Updated last week