Note
Go to the end to download the full example code.
Phonon Band structures (Plotly version)ΒΆ
This example shows how to plot the phonon band structure of AlAs with plotly. See tutorial/lesson_rf2.html
from abipy.abilab import abiopen
import abipy.data as abidata
# Open the PHBST file produced by anaddb and get the phonon bands.
with abiopen(abidata.ref_file("trf2_5.out_PHBST.nc")) as ncfile:
phbands = ncfile.phbands
# Read the Phonon DOS from the netcd file produced by anaddb (prtdos 2)
with abiopen(abidata.ref_file("trf2_5.out_PHDOS.nc")) as ncfile:
phdos = ncfile.phdos
Warning: file /home/runner/work/abipy/abipy/abipy/data/refs/alas_phonons/trf2_5.out_PHBST.nc does not contain atomic_numbers.
Particular methods need them!
plot phonon bands and DOS. plot_phonons_lo_to.py shows how to treat the LO-TO splitting.
phbands.plotly(title="AlAs Phonon bands and DOS in eV")
plot phonon bands with DOS.
phbands.plotly_with_phdos(phdos, units="cm-1", title="AlAs Phonon bands + DOS in cm-1")
plot phonon DOS.
phdos.plotly(units="cm-1", title="Phonon DOS and IDOS in cm-1")
# Plot the phonon band structure with different color for each line.
#phbands.plot_colored_matched(units="cm-1",
# title="AlAs with different color for each line.")
# sphinx_gallery_thumbnail_path = '_static/plotly_logo.png'
Total running time of the script: (0 minutes 0.534 seconds)