fermisurfaces/IFermi

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

A Python library for electronic structure pre/post-processing

Heavyweight plotting tools for ab initio calculations

Visualise lattice vibrations

Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.

This add-on to pymatgen provides tools for analyzing diffusion in materials.

Tutorials for using the pymatgen library

A python library for calculating materials properties from the PES