VASPKIT_manual markdown source!
☆84May 29, 2019Updated 7 years ago
Alternatives and similar repositories for VASPKIT_manual
Users that are interested in VASPKIT_manual are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Useful scripts for VASP☆205Dec 28, 2021Updated 4 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64May 30, 2019Updated 7 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 8 months 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
- 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.
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Embedding module for VASP and tools for its use.☆10Jul 1, 2026Updated 3 weeks ago
- p4vasp, the VASP Visualization Tool☆157May 21, 2022Updated 4 years ago
- ☆23Apr 16, 2020Updated 6 years ago
- band plot using python matplotlib☆186Oct 30, 2024Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years 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
- 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.
- KPROJ: A Band Unfolding Program☆50Feb 6, 2025Updated last year
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- A book on modeling materials using VASP, ase and vasp☆451Updated this week
- ☆19May 30, 2019Updated 7 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 4 months ago
- An open-source framework to treat strongly correlated materials using DMFT.☆64Jun 12, 2026Updated last month
- 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
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆290Apr 27, 2026Updated 3 months ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Aug 31, 2022Updated 3 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 user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆94Apr 3, 2025Updated last year
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆263Jul 18, 2024Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- A general parser for VASP☆16Jul 21, 2026Updated last week
- New ASE compliant Python interface to VASP☆155Jan 31, 2026Updated 5 months ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 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.
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14May 2, 2026Updated 2 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆31Sep 8, 2024Updated last year
- Fix lattice component(s) during relaxation in VASP☆143Nov 27, 2025Updated 8 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆86Aug 3, 2025Updated 11 months ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆45Sep 28, 2024Updated last year
- ☆24Nov 10, 2020Updated 5 years ago
- A Virtual Machine for computational materials science☆106Updated this week