2. Realspace WFs of graphene

In this tutorial, we will plot realspace representation.

Tip

This is a HTML version of the tutorial, you can download corresponding

Jupyter notebook: 2-wf.ipynb

Preparation

Load the package

using Wannier: get_atom_number, read_xsf

using WGLMakie
set_theme!(; resolution=(800, 800))
using WannierPlots

Tip

Here we want to show the WFs in this web page, so we first load WGLMakie. When you use the WannierPlots package in REPL, you can first load GLMakie, then the WFs will be shown in a standalone window.

Path of current tutorial

PWD = "4-realspace"

"4-realspace"

Read the 1st WF

xsf = read_xsf("$PWD/graphene_00001.xsf");

Visualize with WannierPlots.jl,

pos = inv(xsf.primvec) * xsf.atom_positions  # to fractional coordinates
atom_numbers = get_atom_number(xsf.atoms)  # to integer atomic numbers
plot_wf(xsf.rgrid, xsf.W, xsf.primvec, pos, atom_numbers)

This page was generated using Literate.jl.