AIRSS works together with VASP.
☆15Dec 8, 2022Updated 3 years ago
Alternatives and similar repositories for airss4vasp
Users that are interested in airss4vasp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Dec 13, 2022Updated 3 years ago
- A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.☆25Mar 15, 2024Updated 2 years ago
- Python code for twisting the 2D materials.☆30Dec 8, 2022Updated 3 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Sep 22, 2025Updated 6 months ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Oct 27, 2019Updated 6 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- 2021届天津大学最新毕设latex模板。☆13May 25, 2021Updated 4 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated last year
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated last month
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ☆41Feb 21, 2024Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Nov 10, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Different utilities used by our group☆29Feb 6, 2026Updated last month
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 11 months ago
- WEST code☆33Mar 3, 2026Updated 3 weeks ago
- Occupation matrix control modification VASP☆53Sep 11, 2019Updated 6 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- ☆30May 20, 2025Updated 10 months ago
- An adaptive/incremental kNN and Range Search query implementation in Julia☆11May 6, 2023Updated 2 years ago
- 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.
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated 3 weeks ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Tight-binding package written in Julia☆61Nov 19, 2023Updated 2 years ago
- DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, function…☆31Updated this week
- A Julia wrapper for the spglib C-API☆24Mar 13, 2026Updated 2 weeks ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- ☆24Jan 22, 2026Updated 2 months ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆25Feb 14, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- ☆37Sep 16, 2025Updated 6 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 8 months ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 8 months ago