Projected phonon DOSΒΆ

This example shows how to plot the projected phonon DOS (PJDOS) of AlAs. See tutorial/lesson_rf2.html

Read the Phonon DOS from the netcdf file produced by anaddb with prtdos 2 (alternatively one can use the shell and -nb to open the file in a jupyter notebook.

from abipy.abilab import abiopen
import as abidata

phdos_file = abiopen(abidata.ref_file(""))

To plot the PJDOS with matplotlib, use:

phdos_file.plot_pjdos_type(units="cm-1", title="AlAs type-projected phonon DOS")
AlAs type-projected phonon DOS


<Figure size 640x480 with 1 Axes>

For the plotly version, use:

phdos_file.plotly_pjdos_type(units="cm-1", title="AlAs type-projected phonon DOS")

To have the projection along the cartesian directions (summed over atomic types), use

phdos_file.plot_pjdos_cartdirs_type(units="Thz", stacked=True,
        title="Type-projected ph-DOS decomposed along the three Cartesian directions.")
Type-projected ph-DOS decomposed along the three Cartesian directions.


<Figure size 640x480 with 3 Axes>

To plot the PJDOS for all the inequivalent sites, use:

phdos_file.plot_pjdos_cartdirs_site(view="inequivalent", stacked=True)
plot phonon pjdos


<Figure size 640x480 with 3 Axes>

Remember to close the file

Total running time of the script: ( 0 minutes 0.560 seconds)

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