mxchen-2020 / kproj
KPROJ: A Band Unfolding Program
☆38Updated last month
Alternatives and similar repositories for kproj:
Users that are interested in kproj are comparing it to the libraries listed below
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 2 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆67Updated 6 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 10 months ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆112Updated 2 years ago
- Python code for twisting the 2D materials.☆26Updated 2 years ago
- DFT post processing tools☆23Updated 7 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆37Updated 6 months ago
- ☆27Updated 2 years ago
- Concentric Approximation - Non-adiabatic Coupling☆23Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆39Updated last month
- ☆20Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Band unfolding for phonons☆54Updated 4 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- A collection of examples for running different types of VASP calculations.☆30Updated 8 years ago
- some toolkits for VASP☆28Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 3 years ago
- ☆65Updated 2 weeks ago
- ☆18Updated 5 years ago
- ☆48Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated 10 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆40Updated 9 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated 3 weeks ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆28Updated 2 years ago