Real space WFs

plot_wf(rgrid, W::Array{Float,3}, lattice::Matrix{Float},
    atom_positions::Matrix{Float}, atom_numbers::Vector{Int};
    iso::=nothing)

Plot volumetric data with Makie, e.g., real space WF.

Arguments

• rgrid: Wannier.RGrid
• W: volumetric data in 3D
• lattice: columns are lattice vectors
• atom_positions: columns are atom positions in fractional coordinates
• atom_numbers: atomic numbers

Keyword Arguments

• iso: isosurface value, if not given, auto calculate.

Guess iso from histogram.

Generate a mesh3d.

Plotly lattice

lattice: each column is a lattice vector origin: the overall shift of the structure, in cartesian

Generate a mesh3d for plotlyjs.

Plotly lattice and atoms

lattice: each column is a lattice vector atompositions: each column is an atomic position, in fractional coordinates atomnumbers: atomic number of each atom origin: the overall shift of the structure, in cartesian

A plotly sphere.

Plot volumetric data with Plotly.

E.g., realspace WFs.

data: volumetric data in 3D