5 projects
lobsterpy
Package for automatic bonding analysis with Lobster/VASP
euphonic
Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)
sumo
Heavy weight plotting tools for ab initio solid-state calculations
galore
Broadening and weighting for simulated spectra
kgrid
Reciprocal space sampling for atomistic crystal structures