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 last week
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- ☆26Updated 2 years ago
- a python package for computing magnetic interaction parameters☆74Updated 3 weeks 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
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆67Updated 6 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 10 months ago
- python workflow for GW-BSE calculation☆25Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆56Updated 2 years ago
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆35Updated 6 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Band unfolding for phonons☆52Updated 4 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 3 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 2 months ago
- ☆48Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆96Updated this week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆40Updated 8 months ago
- A tool for creating and manipulating tight-binding models.☆37Updated last month
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆38Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆42Updated 4 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- 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
- KPROJ: A Band Unfolding Program☆38Updated 3 weeks ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆41Updated 3 months ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆28Updated 2 years ago