☆131Feb 21, 2019Updated 7 years ago
Alternatives and similar repositories for VASP-script
Users that are interested in VASP-script are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- Useful scripts for VASP☆202Dec 28, 2021Updated 4 years ago
- A collection of scripts to interpret/organize VASP output files☆24Oct 13, 2016Updated 9 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
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆184Jan 7, 2026Updated 4 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.
- ☆25May 7, 2026Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- 新生入学培训资料☆18Oct 2, 2022Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 3 months ago
- some toolkits for VASP☆34Apr 30, 2021Updated 5 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
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆24Oct 9, 2019Updated 6 years ago
- Effective Mass Calculator for Semiconductors☆111Oct 12, 2020Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆12Feb 28, 2020Updated 6 years ago
- Solvation model for the plane wave DFT code VASP.☆174Oct 1, 2025Updated 7 months ago
- ☆30Jan 4, 2026Updated 4 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆278Apr 27, 2026Updated 3 weeks 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
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆84Aug 3, 2025Updated 9 months ago
- ☆60Dec 5, 2024Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆63May 30, 2019Updated 6 years ago
- An updated version of the VASP2WANNIER90v2 interface☆107Sep 19, 2023Updated 2 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.
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆66Aug 27, 2021Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- A book on modeling materials using VASP, ase and vasp☆433May 11, 2026Updated last week
- ☆19May 30, 2019Updated 6 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago
- Manipulating VASP files with Python.☆298Updated this week
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- In this repository, we will summarise the procedure of theoretical simulation in electrocatalytic system, it will be a huge task, but it …☆14Feb 23, 2021Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆30Aug 6, 2021Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- A Python Library for Energy Profile and Abstract Grid(2D/3D) plotting☆34Dec 12, 2018Updated 7 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- 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
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 10 months ago
- ☆38Oct 8, 2019Updated 6 years ago
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 3 years ago