Automatic search for the most stable magnetic state of a given structure
☆26Feb 17, 2026Updated 8 months ago
Alternatives and similar repositories for automag
Users that are interested in automag are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- Software to study polarization and topological properties of crystalline solids☆31Oct 17, 2026Updated 3 weeks ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 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.
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆11Feb 23, 2018Updated 8 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 4 years ago
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- ☆19Jan 27, 2020Updated 6 years ago
- DensityTool post-processing program for VASP☆32Nov 29, 2023Updated 2 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 9 months 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.
- ☆13Apr 12, 2023Updated 3 years ago
- A Python library for electronic structure pre/post-processing☆225Oct 10, 2026Updated 3 weeks ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆138May 26, 2026Updated 5 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆16Nov 21, 2023Updated 2 years ago
- ☆42Feb 21, 2024Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆98Oct 9, 2026Updated 3 weeks ago
- D3Q + thermal2☆30Jun 8, 2026Updated 4 months ago
- Python software that implements the formulation for evaluating the effects of electron-phonon coupling on the optical properties of defec…☆12Sep 30, 2026Updated last month
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆83Oct 18, 2026Updated 2 weeks ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last month
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆60May 23, 2026Updated 5 months ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆39Dec 26, 2021Updated 4 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated 2 years ago
- ☆18Oct 20, 2026Updated 2 weeks ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- A Python library to calculate elastic properties of materials.☆61Jul 23, 2025Updated last year
- 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.
- ☆14Nov 16, 2022Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 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
- python and bash scripts for setting up and post-processing of charged defects calculations☆13Apr 6, 2021Updated 5 years ago
- ☆26Jul 8, 2023Updated 3 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Some VASP scripts☆12Oct 9, 2012Updated 14 years ago