irreducible-representations / irrep
☆62Updated last month
Related projects ⓘ
Alternatives and complementary repositories for irrep
- 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
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated 2 weeks ago
- KPROJ: A Band Unfolding Program☆35Updated 4 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆71Updated last year
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 6 months ago
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago
- An updated version of the VASP2WANNIER90v2 interface☆88Updated last year
- a python package for computing magnetic interaction parameters☆71Updated this week
- ☆45Updated last year
- 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
- 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
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated last week
- A repository hosting materials used during Wannier-related tutorials and schools☆39Updated 5 months ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆28Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- ☆25Updated 2 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆51Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- Modeling and Crystallographic Utilities☆45Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Python code for twisting the 2D materials.☆23Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆69Updated 4 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆86Updated 2 weeks ago
- A tool for creating and manipulating tight-binding models.☆35Updated 4 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 2 years ago