Occupation matrix control modification VASP
☆56Sep 11, 2019Updated 6 years ago
Alternatives and similar repositories for Occupation-matrix-control-in-VASP
Users that are interested in Occupation-matrix-control-in-VASP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆128Oct 23, 2022Updated 3 years ago
- ☆42Feb 21, 2024Updated 2 years ago
- 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
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆46Aug 24, 2024Updated last year
- 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.
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- An updated version of the VASP2WANNIER90v2 interface☆106Sep 19, 2023Updated 2 years ago
- p4vasp, the VASP Visualization Tool☆155May 21, 2022Updated 3 years ago
- A Python library for electronic structure pre/post-processing☆207Jan 29, 2026Updated 2 months ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆12Dec 3, 2025Updated 4 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- ☆10Sep 26, 2025Updated 6 months ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Apr 3, 2025Updated last year
- 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
- Visualizations☆14Jan 10, 2022Updated 4 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☆75Sep 18, 2020Updated 5 years ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- ☆13Sep 14, 2025Updated 7 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated 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.
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆328Jun 9, 2025Updated 10 months ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Oct 14, 2021Updated 4 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 5 years ago
- Site-Occupancy Disorder (SOD)☆57Updated this week
- Manager for first-principles calculations☆18Feb 16, 2026Updated 2 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- WanTiBEXOS code repository☆16Apr 1, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- AIRSS works together with VASP.☆15Dec 8, 2022Updated 3 years ago
- ☆19May 30, 2019Updated 6 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆83Aug 3, 2025Updated 8 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 6 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago