Python program to evaluate off-resonance Raman activity using VASP code as the backend.
☆182Jan 7, 2026Updated 2 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.☆183Updated this week
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- 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
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆36Apr 19, 2024Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆271Mar 9, 2026Updated 2 weeks ago
- ☆29Jun 30, 2024Updated last year
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 2 years ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆327Jun 9, 2025Updated 9 months ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 3 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- An updated version of the VASP2WANNIER90v2 interface☆106Sep 19, 2023Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆80Aug 3, 2025Updated 7 months ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆116Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Mar 4, 2026Updated 2 weeks ago
- Manipulating VASP files with Python.☆292Jun 19, 2022Updated 3 years ago
- A Python library for electronic structure pre/post-processing☆204Jan 29, 2026Updated last month
- Phonon code☆466Updated this week
- ☆129Feb 21, 2019Updated 7 years ago
- Solvation model for the plane wave DFT code VASP.☆172Oct 1, 2025Updated 5 months ago
- Effective Mass Calculator for Semiconductors☆110Oct 12, 2020Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆48May 6, 2024Updated last year
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 6 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
- Visualise lattice vibrations☆107Jun 3, 2025Updated 9 months ago
- Useful scripts for VASP☆201Dec 28, 2021Updated 4 years ago
- ab-initio nonadiabatic molecular dynamics program☆119May 21, 2024Updated last year
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Apr 3, 2025Updated 11 months ago
- Band unfolding for phonons☆61Oct 23, 2024Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Jan 26, 2026Updated last month
- a python package for computing magnetic interaction parameters☆94Updated this week
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- ☆38Oct 8, 2019Updated 6 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Feb 27, 2024Updated 2 years ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆23Sep 9, 2022Updated 3 years ago
- A suite of computational materials science tools.☆142Apr 3, 2024Updated last year
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago