aiidateam / aiida-wannier90Links
AiiDA plugin for the Wannier90 code
☆12Updated 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
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆21Updated 2 months ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Updated 2 months ago
- A real-space DFT code☆16Updated 5 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆24Updated 5 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Updated 7 years ago
- Python tools for Quantum ESPRESSO☆37Updated 3 months ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- The official AiiDA plugin for Phonopy☆20Updated last month
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆34Updated 4 years ago
- Software to study polarization and topological properties of crystalline solids☆31Updated last year
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- BerkeleyGW python☆32Updated 4 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Updated 3 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 2 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- Exchange parameters of Heisenberg model calculation via Green's function approach☆35Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 6 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Updated 3 months ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆27Updated 3 weeks ago
- Useful tools integrated for VASP/Wannier90 interface☆12Updated 3 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Updated 3 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 4 years ago
- Visualizations☆14Updated 4 years ago
- Python version ofthe BandUP code☆28Updated last year