pulkin / openmx-hks
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
- Modeling and Crystallographic Utilities☆50Updated last year
- Tutorial files for alamode☆12Updated 7 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Tutorial for Wannier2022☆14Updated 3 months ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆41Updated 4 months ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 2 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated this week
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆15Updated 6 years 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☆20Updated 4 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- Converts the VASP WAVECAR to UNK files for wannier90.☆23Updated 4 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 4 months ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆11Updated 5 years ago
- ☆12Updated 7 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆51Updated last year
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆17Updated 9 months ago
- TDEP Tutorials☆26Updated 3 months ago
- Examples of using the Atomic Simulation Environment☆33Updated 9 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- ☆27Updated 2 years ago
- a python package for computing magnetic interaction parameters☆76Updated last week
- A CUDA-implementation of linear-scaling quantum transport methods☆26Updated last year
- A phonon irreducible representations calculator☆18Updated 11 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- ☆18Updated 3 months ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆9Updated 5 years ago