☆32Dec 27, 2024Updated last year
Alternatives and similar repositories for SCPC-Method
Users that are interested in SCPC-Method are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Sep 14, 2025Updated 10 months ago
- ☆13Jan 4, 2024Updated 2 years 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
- Gaussian and Lorentzian smearing of simulated spectra☆45Oct 8, 2024Updated last year
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Jul 18, 2026Updated 3 weeks 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.
- python workflow for GW-BSE calculation☆32Jun 16, 2023Updated 3 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- A plugin to AiiDA for running simulations with VASP☆64Updated this week
- ☆18Aug 26, 2025Updated 11 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated this week
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- Pymatgen Core☆24Updated this week
- 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.
- ☆33Jul 24, 2026Updated 2 weeks ago
- ☆19Jan 27, 2020Updated 6 years ago
- Python package for Moiré EXciton calculations☆16Aug 22, 2025Updated 11 months ago
- A Python library for electronic structure pre/post-processing☆218Jan 29, 2026Updated 6 months ago
- Defect structure-searching employing chemically-guided bond distortions☆128Jul 17, 2026Updated 3 weeks ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 7 months ago
- A Python 3 script to visualise atomic displacement using the Vesta file format☆24Apr 19, 2020Updated 6 years ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 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.
- A fortran package and library for continuum embedding calculations in materials and molecules☆21Jul 6, 2026Updated last month
- ☆13Mar 11, 2026Updated 4 months ago
- to solve the aBR decomposition online for an unconventional material or obstructed atomic insulator (OAI). "Unconventional materials", Sc…☆13Jul 28, 2022Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- AI boosted Q-robot for VASP daily processing.☆15Updated this week
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jul 6, 2026Updated last month
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated last month
- 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.
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆38Dec 26, 2021Updated 4 years ago
- ☆29Apr 21, 2026Updated 3 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆30Aug 5, 2020Updated 6 years ago
- VASP Integrated Supporting Environment☆29May 14, 2026Updated 2 months ago
- Repo of GAME-Net-UQ, a graph neural network with uncertainty quantification for predicting the DFT energy of adsorbed intermediates and t…☆19Mar 23, 2026Updated 4 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆53Nov 6, 2025Updated 9 months ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year