ac-dias / wantibexosView external linksLinks
WanTiBEXOS code repository
☆16Feb 3, 2026Updated last week
Alternatives and similar repositories for wantibexos
Users that are interested in wantibexos are comparing it to the libraries listed below
Sorting:
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆29Nov 7, 2025Updated 3 months ago
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆21Oct 21, 2025Updated 3 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 6 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 3 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Oct 20, 2025Updated 3 months ago
- Add on-site SOC to Wannier Hamiltonian.☆18Mar 24, 2021Updated 4 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jan 28, 2026Updated 2 weeks ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- ☆20Jan 22, 2022Updated 4 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated 11 months ago
- Simulation package for light-matter interaction.☆26May 1, 2025Updated 9 months ago
- Python version ofthe BandUP code☆28Oct 14, 2024Updated last year
- ☆11Nov 10, 2020Updated 5 years ago
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 3 months ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- ☆15Apr 8, 2023Updated 2 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- ☆10Sep 26, 2025Updated 4 months ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Computes the dark matter-phonon scattering rate for a general scattering potential.☆12Mar 21, 2023Updated 2 years ago
- from linearized augmented plane waves to maximally localized Wannier functions☆12Dec 23, 2016Updated 9 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Sep 22, 2025Updated 4 months ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- Modified Shepard Algorithm for Interpolation of Scattered Multivariate Data☆11May 28, 2022Updated 3 years ago
- A Fortran90 program for unfolding phonon dispersions☆11Jun 12, 2020Updated 5 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Aug 26, 2025Updated 5 months ago
- D3Q + thermal2☆26Nov 3, 2025Updated 3 months ago
- Occupation matrix control modification VASP☆53Sep 11, 2019Updated 6 years ago
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆25Dec 30, 2025Updated last month
- Julia package for the quantum cluster theories in condensed matter physics, including cluster perturbation theory (CPT), variational clus…☆10Sep 23, 2022Updated 3 years ago
- Abinitio Dynamical Vertex Approximation☆15Dec 17, 2019Updated 6 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 6 months ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year