bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.
☆17Aug 31, 2026Updated last month
Alternatives and similar repositories for bands4vasp
Users that are interested in bands4vasp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Apr 12, 2023Updated 3 years ago
- L. N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.☆13Apr 24, 2012Updated 14 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- KPROJ: A Band Unfolding Program☆50Feb 6, 2025Updated last year
- DensityTool post-processing program for VASP☆32Nov 29, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Sep 16, 2026Updated last month
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆13Dec 3, 2025Updated 10 months ago
- Calculate parity of a k point using WAVECAR☆11Oct 10, 2019Updated 7 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated last year
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- ☆14May 26, 2021Updated 5 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.
- ☆12Apr 17, 2025Updated last year
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- ☆10Sep 26, 2025Updated last year
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- WanTiBEXOS code repository☆18Oct 15, 2026Updated 2 weeks ago
- Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)☆10Aug 23, 2019Updated 7 years ago
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆40May 29, 2026Updated 5 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆39May 20, 2026Updated 5 months ago
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated 2 years 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.
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 4 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- to compute Irreducible Representations by linking the libIRVSP.a to PWscf/QE code and phonon modes. R. Ref: Zhang, et al. Phys. Rev. Res…☆16Jan 6, 2026Updated 9 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆21Apr 19, 2023Updated 3 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 6 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- ☆30Sep 9, 2026Updated last month
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 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.
- Export Eigenvectors from Phonopy format to VESTA☆57Dec 24, 2024Updated last year
- ☆12Sep 1, 2025Updated last year
- ☆14Nov 16, 2022Updated 3 years ago
- Implementation of ``APEX: Academic Poster Editing Agentic Expert''☆14Jan 19, 2026Updated 9 months ago
- Python scripts for generating moiré lattices in twisted bilayer 2D materials and creating TMDC nanotubes.☆11Oct 13, 2024Updated 2 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆29Mar 5, 2023Updated 3 years ago
- Utility scripts and programs for VASP calculations☆32Updated this week