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X-ray diffraction pattern
This example shows how to plot the X-ray diffraction pattern with pymatgen
from abipy import abilab
import abipy.data as abidata
# Extract the structure (supports multiple formats e.g netcdf, Abinit input, cif, POSCAR)
# Also available via the `abistruct.py xrd FILE` command line interface.
structure = abilab.Structure.from_file(abidata.ref_file("si_scf_WFK.nc"))
Plot the XRD spectrum.
structure.plot_xrd()
Total running time of the script: (0 minutes 0.079 seconds)