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 5 months ago
- Tutorial files for alamode☆13Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 11 months ago
- DFT post processing tools☆26Updated last year
- 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☆30Updated 2 years ago
- GUI4dft - first free SIESTA oriented GUI☆26Updated last month
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- TDEP Tutorials☆32Updated 4 months ago
- Python version ofthe BandUP code☆27Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- quick analysis of vasp calculation☆38Updated last year
- ☆20Updated 10 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated last week
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 9 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆24Updated 5 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last year
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Tools for Phono(3)py power users.☆34Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- a python package for computing magnetic interaction parameters☆85Updated this week
- Transition Dipole Moments from VASP WAVECAR☆25Updated 3 years ago