# Multiple phonon bands¶

This example shows how to plot several phonon band structures on a grid.

We use two files produced by anaddb:

trf2_5.out_PHBST.nc: phonon frequencies on a q-path in the BZ (used to plot the band dispersion) trf2_5.out_PHDOS.nc: phonon DOS compute with anaddb.

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/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/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/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/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()
/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 import abilab
import abipy.data as abidata

import os
paths = [
#"mgb2_444k_0.01tsmear_DDB",
#"mgb2_444k_0.02tsmear_DDB",
#"mgb2_444k_0.04tsmear_DDB",
"mgb2_888k_0.01tsmear_DDB",
#"mgb2_888k_0.02tsmear_DDB",
"mgb2_888k_0.04tsmear_DDB",
"mgb2_121212k_0.01tsmear_DDB",
#"mgb2_121212k_0.02tsmear_DDB",
"mgb2_121212k_0.04tsmear_DDB",
]

paths = [os.path.join(abidata.dirpath, "refs", "mgb2_phonons_nkpt_tsmear", f) for f in paths]

robot = abilab.DdbRobot()
for i, path in enumerate(paths):

r = robot.anaget_phonon_plotters(nqsmall=2)

r.phbands_plotter.gridplot_with_hue("tsmear")

r.phbands_plotter.gridplot_with_hue("tsmear", with_dos=True)

#r.phbands_plotter.gridplot_with_hue("nkpt")

robot.close()


Total running time of the script: ( 0 minutes 5.963 seconds)

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