Electronic Structure
fcc Cu in one viewer: crystal structure, Fermi surface (folded into the first Brillouin zone), band structure and density of states of the same calculation. Real and reciprocal lattice share one Cartesian frame, so rotating either 3D scene turns the other with it (the link button in the top-right controls unlinks them). Hover a band or the DOS to see the constant-energy surface at that energy, and the band's k-point on the path through the zone; click a band to pin its energy and isolate its sheet. The pane menu shows any subset, the dividers resize the panes, and a dropped structure, Fermi surface, band structure or DOS file replaces the pane it belongs to.
Loading Cu band grid…
Pressure sweep
The same viewer along a sweep: the control bar steps or plays through the frames, every pane follows, and the descriptors pane plots a per-frame value against pressure (pick the descriptor in its header, click a point to jump there). Frames bring their structures up front and their band grid, bands and DOS through a loader when first shown, as a remote source would. This sweep is approximate, for demonstrating the viewer: the Cu calculation above with its cell scaled to each volume, band energies rescaled about EF as free electrons (∝ 1/a²) and pressures from a Birch–Murnaghan equation of state (B₀ = 140 GPa, B₀′ = 5). The phonon pane below the electronic spectra shows a nearest-neighbour force-constant model of fcc stiffening with Grüneisen γ = 2, with an Eliashberg function α²F(ω) on its own axis; its λ, ωlog and ω₂ (overlaid on ωlog) are descriptors. No frame is a calculation at its pressure.