Multi-Volume Isosurfaces

Load several volumetric datasets into one scene, render isosurfaces from each simultaneously, and color any surface by sampling another volume's scalar field at its vertices (e.g. an electron-density surface colored by electrostatic potential). Drop multiple .cube/CHGCAR-family files onto the viewer at once: files describing the same cell are appended as extra volumes rather than replacing the scene.

Mix your own (same-cell files append as extra volumes)

CHGCAR CUBE ELFCAR LOCPOT

CHGCAR

Al slab ρ

LOCPOT

Al slab

CUBE

Benzene π

CUBE

Caffeine HOMO

CUBE

Caffeine LUMO

CUBE

Methane ESP

CHGCAR

Fe BCC spin

CUBE

Glycine ρ

CUBE

Glycine ESP

CUBE

Water

CHGCAR

hBN hex

ELFCAR

hBN ELF

CHGCAR

Large grid (perf)

LOCPOT

Large LOCPOT (perf)

CHGCAR

Fe₃O₄ (real)

CHGCAR

NiO SOC (real)

ELFCAR

ELF (real)

CHGCAR

Si diamond

No structure provided

Details

Hidden color sources: a volume with no surfaces of its own still colors other surfaces
Grid compatibility checks: strictly matching grids sample exactly; mismatched grids resample in shared coordinates with a ⚠ diagnostic
Periodic continuity: colors wrap across cell boundaries and supercell tiles
Fractional display ranges: VESTA-style non-integer supercells repeat surfaces periodically and clip them exactly at fractional bounds
Fast recolor: changing colormap or range remaps cached vertex scalars without rerunning marching cubes