irreducible-representations / irrepLinks
☆68Updated last week
Alternatives and similar repositories for irrep
Users that are interested in irrep are comparing it to the libraries listed below
Sorting:
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆119Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated last month
- a python package for computing magnetic interaction parameters☆83Updated 2 weeks ago
- Symmetry analysis and symmetrize in Wannier orbitals☆42Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 4 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆42Updated last year
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆66Updated last month
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Visualise lattice vibrations☆99Updated 3 months ago
- An updated version of the VASP2WANNIER90v2 interface☆100Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- ☆57Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 10 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- KPROJ: A Band Unfolding Program☆46Updated 7 months ago
- to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023…☆26Updated 3 months ago
- Band unfolding for phonons☆56Updated 10 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆59Updated 3 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated last year
- Python version ofthe BandUP code☆27Updated 11 months ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆85Updated 5 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆30Updated 3 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆47Updated 8 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 3 weeks ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆23Updated 5 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated 2 months ago