aiidateam / aiida-wannier90Links
AiiDA plugin for the Wannier90 code
☆11Updated last year
Alternatives and similar repositories for aiida-wannier90
Users that are interested in aiida-wannier90 are comparing it to the libraries listed below
Sorting:
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Updated 4 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆13Updated 2 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A set of useful tools for Quantum ESPRESSO☆33Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated last week
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated 2 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆39Updated 11 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated last month
- BerkeleyGW python☆30Updated 3 years ago
- A general parser for VASP☆13Updated last week
- A real-space DFT code☆16Updated 4 years ago
- Python version ofthe BandUP code☆25Updated 9 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- WanTiBEXOS code repository☆12Updated this week
- ☆29Updated last year
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆22Updated last month
- Examples for the TB2J code☆16Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Updated 2 years ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Phonon for AiiDA☆20Updated 3 weeks ago