brucefan1983 / gpuqtLinks
A CUDA-implementation of linear-scaling quantum transport methods
☆28Updated 2 years ago
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☆38Updated last week
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 6 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- A Wannier90 python interface for VASP and PySCF☆41Updated 3 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Updated last year
- Modeling and Crystallographic Utilities☆52Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated 2 years ago
- TDEP Tutorials☆34Updated 8 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆62Updated 3 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Updated last year
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆27Updated 3 weeks ago
- Band unfolding for phonons☆58Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- This is a GPU optimized version of ShengBTE.☆19Updated last year
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- ☆31Updated 8 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 2 months ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆41Updated 10 months ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Updated 3 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 6 years ago
- ☆24Updated 7 years ago
- Massively parallel vibrational mode calculator.☆23Updated last year