Brillouin zoneΒΆ

This example shows how to display the Brillouin zone with pymatgen and matplotlib.

../_images/sphx_glr_plot_bz_001.png

Out:

/Users/gmatteo/git_repos/pymatgen/pymatgen/symmetry/bandstructure.py:63: UserWarning: The input structure does not match the expected standard primitive! The path can be incorrect. Use at your own risk.
  warnings.warn("The input structure does not match the expected standard primitive! "
/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()

from abipy.abilab import abiopen
import abipy.data as abidata

# Open the WKF file.
wfk_file = abiopen(abidata.ref_file("si_scf_WFK.nc"))

# Extract the crystalline structure.
structure = wfk_file.structure

# Visualize the BZ.
structure.plot_bz()

# Close the wfk file
wfk_file.close()

Total running time of the script: ( 0 minutes 0.904 seconds)

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