X-ray diffraction pattern

This example shows how to plot the X-ray diffraction pattern with pymatgen

import abipy.data as abidata
from abipy import abilab

# 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()