pulkin / openmx-hksLinks
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
☆15Updated 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:
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 6 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆16Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆40Updated last week
- Julia codes to play with Phonons☆24Updated 6 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Tutorials for Quantum Espresso☆19Updated 2 years ago
- Tutorial for Wannier2022☆14Updated 3 weeks ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated last month
- python workflow for GW-BSE calculation☆28Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆12Updated 5 years ago
- Examples of using the Atomic Simulation Environment☆35Updated 9 years ago
- Extended DeepH (xDeepH) method for magnetic materials.☆37Updated last year
- Tutorial files for alamode☆12Updated 10 months ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 4 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆22Updated 4 years ago
- TDEP Tutorials☆29Updated last week
- A collection of crystal structures from first-principles simulations☆32Updated 5 years ago
- Python-based plane wave density functional theory code for educational purposes☆28Updated 2 months ago
- Python modules for electron–phonon models☆33Updated 2 weeks ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- a python package for computing magnetic interaction parameters☆79Updated last week
- Tools for Phono(3)py power users.☆33Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 2 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆52Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last week
- many-body perturbation theory without empty states☆12Updated 6 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆69Updated 9 months ago