hungpham2017 / mcu
Modeling and Crystallographic Utilities
☆50Updated last year
Alternatives and similar repositories for mcu:
Users that are interested in mcu are comparing it to the libraries listed below
- ☆63Updated 3 weeks ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆44Updated this week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆66Updated 5 months ago
- a python package for computing magnetic interaction parameters☆72Updated this week
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆55Updated 2 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆48Updated last year
- A Wannier90 python interface for VASP and PySCF☆36Updated last year
- ☆26Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 9 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- Band unfolding for phonons☆51Updated 3 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- ☆47Updated last year
- python workflow for GW-BSE calculation☆25Updated last year
- Occupation matrix control modification VASP☆44Updated 5 years ago
- Export Eigenvectors from Phonopy format to VESTA☆37Updated last month
- ☆17Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated 2 weeks ago
- Implementation for computing nonradiative recombination rates in semiconductors☆42Updated 3 months ago
- An updated version of the VASP2WANNIER90v2 interface☆90Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 2 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…☆20Updated 8 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆40Updated 7 months ago
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆32Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆109Updated 2 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago