Visualize a crystal structure¶

Many different approaches exist to visualize a crystal structure. As the inpgen input generator of FLEUR creates a struct.xsf file in the xsf file format introduced by xcrysden you can use this file.

For example the following codes might be used:

  • xcrysden http://www.xcrysden.org/
  • Vesta https://jp-minerals.org/vesta/en/download.html
  • ASE https://wiki.fysik.dtu.dk/ase/

As this tutorial has ASE installed we can use this as a very simple example:

In [ ]:
from ase.io import read
from ase.visualize import view

atoms=read("inpgen/struct.xsf")
view(atoms, viewer='x3d')
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