Site-Occupancy Disorder (SOD)
☆63Aug 30, 2026Updated last month
Alternatives and similar repositories for sod
Users that are interested in sod are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆111May 23, 2026Updated 4 months ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 2 months ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- A Python library for electronic structure pre/post-processing☆224Updated this week
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A code for generating irreducible site-occupancy configurations☆55Dec 19, 2023Updated 2 years ago
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated last month
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Sep 24, 2026Updated 2 weeks ago
- Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and cryst…☆12Aug 4, 2026Updated 2 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 11 months 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
- ☆62Jul 19, 2022Updated 4 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Jul 22, 2026Updated 2 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tools for machine learnt interatomic potentials☆51Updated this week
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆39Apr 28, 2016Updated 10 years ago
- ☆19May 30, 2019Updated 7 years ago
- Occupation matrix control modification VASP☆63Sep 11, 2019Updated 7 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 6 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 4 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆42Sep 30, 2026Updated last week
- Generate symmetrized force constants☆30Updated this week
- Heavyweight plotting tools for ab initio calculations☆260Sep 3, 2026Updated last month
- 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.
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated 2 years ago
- Band unfolding for phonons☆63Oct 23, 2024Updated last year
- Dealing with slabs for first principles calculations of surfaces☆71Sep 17, 2023Updated 3 years ago
- ☆18Feb 26, 2026Updated 7 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated 11 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.
- A tool for finding optimized SQS structures tool written in C++☆79Updated this week
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 10 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆31Jan 4, 2026Updated 9 months ago
- ☆10Sep 26, 2025Updated last year
- ☆23Jun 29, 2026Updated 3 months ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 10 months ago
- Pymatgen Core☆29Oct 2, 2026Updated last week