pulkin / openmx-hksLinks
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
☆16Updated 4 years ago
Alternatives and similar repositories for openmx-hks
Users that are interested in openmx-hks are comparing it to the libraries listed below
Sorting:
- Tutorial for Wannier2022☆16Updated 4 months ago
- Tutorial files for alamode☆13Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆31Updated 10 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated 2 months ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- Python modules for electron–phonon models☆36Updated last week
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆15Updated this week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- ☆20Updated 9 months ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Updated 2 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 10 months ago
- quick analysis of vasp calculation☆37Updated last year
- DFT post processing tools☆26Updated last year
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Compressive sensing lattice dynamics☆29Updated 7 months ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆23Updated 2 years ago
- TDEP Tutorials☆32Updated 3 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- ☆31Updated 4 months ago
- a python package for computing magnetic interaction parameters☆84Updated 2 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last year
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated last month
- Python version ofthe BandUP code☆27Updated 11 months ago
- ☆23Updated 9 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago