mxchen-2020 / kproj
KPROJ: A Band Unfolding Program
☆35Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for kproj
- Python code for twisting the 2D materials.☆23Updated last year
- ☆25Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023…☆19Updated 5 months ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆62Updated 2 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆106Updated 2 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆28Updated 2 years ago
- ☆20Updated 4 years ago
- ☆62Updated last month
- ☆45Updated last year
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 2 years ago
- some toolkits for VASP☆27Updated 3 years ago
- DFT post processing tools☆23Updated 3 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 6 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆31Updated 2 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆18Updated 5 years ago
- An updated version of the VASP2WANNIER90v2 interface☆88Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 2 years ago
- Public repository for the MATLAB code to compute band structures and other properties of twisted multilayer TMDs☆12Updated 3 weeks ago
- A repository hosting materials used during Wannier-related tutorials and schools☆39Updated 5 months ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 7 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago