wannier-berri/wannier-berri

Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)

Multiple Scattering Theory code for first principles calculations

A Python library for electronic structure pre/post-processing

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

Domain specific library for electronic structure calculations