Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
☆30Aug 5, 2020Updated 6 years ago
Alternatives and similar repositories for kg4vasp
Users that are interested in kg4vasp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 6 months ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 8 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- some toolkits for VASP☆35Apr 30, 2021Updated 5 years ago
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Implementation of the tetrahedron method for Brillouin zone summation☆12Jan 12, 2017Updated 9 years ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Visualize vibrational modes from VASP calculations☆47Jan 20, 2025Updated last year
- A code for generating irreducible site-occupancy configurations☆55Dec 19, 2023Updated 2 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.
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated last year
- ☆14Sep 14, 2025Updated 11 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 3 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆86Aug 3, 2025Updated last year
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 4 months ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 4 years ago
- ☆81Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Effective Mass Calculator for Semiconductors☆111Oct 12, 2020Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆202Jul 29, 2026Updated 2 weeks ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆188Jan 7, 2026Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 11 months ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Updated this week
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 2 months ago
- A mathematica package for irreducible representations of space group☆60Apr 30, 2025Updated last year
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 3 months ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year