KPROJ: A Band Unfolding Program
☆48Feb 6, 2025Updated last year
Alternatives and similar repositories for kproj
Users that are interested in kproj are comparing it to the libraries listed below
Sorting:
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆79Aug 3, 2025Updated 6 months ago
- Band unfolding for phonons☆60Oct 23, 2024Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Dec 26, 2021Updated 4 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- A collection of examples for running different types of VASP calculations.☆32Oct 30, 2016Updated 9 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years 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 7 months ago
- Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…☆28Mar 29, 2023Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Aug 31, 2022Updated 3 years ago
- Python modules for electron–phonon models☆38Feb 18, 2026Updated last week
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 5 months ago
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated last week
- Python version ofthe BandUP code☆28Oct 14, 2024Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆269Updated this week
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆34Nov 2, 2021Updated 4 years ago
- An updated version of the VASP2WANNIER90v2 interface☆106Sep 19, 2023Updated 2 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- ☆13Dec 14, 2024Updated last year
- a python package for computing magnetic interaction parameters☆91Updated this week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Apr 3, 2025Updated 10 months ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 3 years ago
- A program to do spin correlated nonadiabatic molecular dynamics (NAMD).☆12Jun 5, 2025Updated 8 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ab-initio nonadiabatic molecular dynamics program☆118May 21, 2024Updated last year
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆27Jan 2, 2026Updated 2 months ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆24Jun 9, 2020Updated 5 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
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- ☆13Feb 14, 2025Updated last year
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 7 months ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Jun 5, 2024Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆114Feb 22, 2026Updated last week
- to obtain parameters of kp model and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 1271…☆29Jun 10, 2025Updated 8 months ago
- WanTiBEXOS code repository☆16Feb 3, 2026Updated 3 weeks ago
- AIRSS works together with VASP.☆15Dec 8, 2022Updated 3 years ago
- Generate isosurface from density data☆14May 11, 2025Updated 9 months ago