irreducible-representations / irrep
☆65Updated last week
Alternatives and similar repositories for irrep:
Users that are interested in irrep are comparing it to the libraries listed below
- 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
- A Wannier90 python interface for VASP and PySCF☆36Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆68Updated 7 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Symmetry analysis and symmetrize in Wannier orbitals☆41Updated 10 months ago
- a python package for computing magnetic interaction parameters☆75Updated 3 weeks ago
- A repository hosting materials used during Wannier-related tutorials and schools☆41Updated 9 months ago
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆28Updated 2 years ago
- ☆49Updated last year
- KPROJ: A Band Unfolding Program☆38Updated 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…☆21Updated 9 months ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- ☆27Updated 2 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆39Updated 2 weeks ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 3 months ago
- Python code for twisting the 2D materials.☆26Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Band unfolding for phonons☆54Updated 5 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆78Updated 5 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆37Updated 7 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆88Updated this week
- Public repository for the MATLAB code to compute band structures and other properties of twisted multilayer TMDs☆13Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆30Updated 2 years ago