brucefan1983 / gpuqtLinks
A CUDA-implementation of linear-scaling quantum transport methods
☆28Updated last year
Alternatives and similar repositories for gpuqt
Users that are interested in gpuqt are comparing it to the libraries listed below
Sorting:
- Python modules for electron–phonon models☆36Updated last week
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 6 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Symmetry analysis and symmetrize in Wannier orbitals☆42Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- A tool for creating and manipulating tight-binding models.☆40Updated 5 months ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- This is a GPU optimized version of ShengBTE.☆17Updated 10 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆58Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 5 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆27Updated 4 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆30Updated 2 years ago
- A set of useful tools for Quantum ESPRESSO☆33Updated 2 months ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 7 years ago
- Tutorial for Wannier2022☆16Updated 3 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated last month
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- Add on-site SOC to Wannier Hamiltonian.☆16Updated 4 years ago
- Multiple Scattering Theory code for first principles calculations☆68Updated 3 weeks ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Pythonic electronic structure theory.☆18Updated 2 months ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆22Updated 2 years ago
- ☆19Updated 2 years ago