quick analysis of vasp calculation
☆38Jun 7, 2024Updated 2 years ago
Alternatives and similar repositories for vasprun
Users that are interested in vasprun 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 command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 4 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 5 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆290Apr 27, 2026Updated 3 months ago
- An open-source framework to treat strongly correlated materials using DMFT.☆31Updated this week
- A Python library for electronic structure pre/post-processing☆218Jan 29, 2026Updated 6 months ago
- A general parser for VASP☆16Updated this week
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated last month
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Occupation matrix control modification VASP☆61Sep 11, 2019Updated 6 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 7 years ago
- ☆19May 30, 2019Updated 7 years ago
- Visualize vibrational modes from VASP calculations☆47Jan 20, 2025Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Fix lattice component(s) during relaxation in VASP☆144Nov 27, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆29Jun 30, 2024Updated 2 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- VASPKIT_manual markdown source!☆85May 29, 2019Updated 7 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆30Aug 5, 2020Updated 6 years ago
- p4vasp, the VASP Visualization Tool☆158May 21, 2022Updated 4 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 11 months ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Builds 2D heterostructures via coincidence lattice theory.☆15Nov 21, 2023Updated 2 years ago
- A plugin to AiiDA for running simulations with VASP☆64Aug 3, 2026Updated last week
- Dealing with slabs for first principles calculations of surfaces☆70Sep 17, 2023Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆45Oct 8, 2024Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36May 20, 2026Updated 2 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆36Jun 26, 2023Updated 3 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☆128Feb 22, 2022Updated 4 years ago