Python program to evaluate off-resonance Raman activity using VASP code as the backend.
☆185Jan 7, 2026Updated 5 months ago
Alternatives and similar repositories for VASP
Users that are interested in VASP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆191Jun 18, 2026Updated 2 weeks ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆134May 26, 2026Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- ☆29Jun 30, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆284Apr 27, 2026Updated 2 months ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆333Jun 9, 2025Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 7 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆28Aug 5, 2020Updated 5 years ago
- An updated version of the VASP2WANNIER90v2 interface☆110Sep 19, 2023Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆85Aug 3, 2025Updated 11 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Advanced tool for Wannier interpolation and integration of k-space integrals☆120Jun 10, 2026Updated 3 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆142Apr 14, 2026Updated 2 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆198Jun 24, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆215Jan 29, 2026Updated 5 months ago
- Manipulating VASP files with Python.☆300May 15, 2026Updated last month
- Phonon code☆482Jun 27, 2026Updated last week
- ☆135Feb 21, 2019Updated 7 years ago
- Solvation model for the plane wave DFT code VASP.☆177Oct 1, 2025Updated 9 months ago
- Effective Mass Calculator for Semiconductors☆111Oct 12, 2020Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 9 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☆76Sep 18, 2020Updated 5 years ago
- Visualise lattice vibrations☆109Apr 4, 2026Updated 3 months ago
- Useful scripts for VASP☆204Dec 28, 2021Updated 4 years ago
- ab-initio nonadiabatic molecular dynamics program☆125May 21, 2024Updated 2 years ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆93Apr 3, 2025Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 5 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- a python package for computing magnetic interaction parameters☆99Jun 17, 2026Updated 2 weeks ago
- ☆39Oct 8, 2019Updated 6 years ago
- ☆14Sep 14, 2025Updated 9 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- A suite of computational materials science tools.☆145Jun 25, 2026Updated last week
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆24Sep 9, 2022Updated 3 years ago