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 real-space DFT code☆16Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Updated 3 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆22Updated last week
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Updated 4 years ago
- Phonons for AiiDA☆20Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated 3 weeks ago
- Python tools for Quantum ESPRESSO☆35Updated 2 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 6 months ago
- Visualizations☆14Updated 3 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Updated 2 years ago
- A general parser for VASP☆15Updated this week
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last week
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Updated last week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 3 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- BerkeleyGW python☆31Updated 3 years ago
- Python version ofthe BandUP code☆27Updated last year
- Resources and files for the advanced vampire workshop☆18Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Updated 3 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆24Updated 5 years ago
- A Fortran90 program for unfolding phonon dispersions☆10Updated 5 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last year