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Speed of SoundΒΆ
This example shows how to compute the speed of sound by fitting phonon frequencies along selected directions by linear least-squares fit. For a command line interface use:
abiview.py ddb_vs input_DDB
from __future__ import print_function
import os
import abipy.data as abidata
from abipy import abilab
from abipy.dfpt.vsound import SoundVelocity
# Initialize object from DDB file.
ddb_path = os.path.join(abidata.dirpath, "refs", "si_sound_vel", "Si_DDB")
sv = SoundVelocity.from_ddb(ddb_path)
# Get pandas dataframe with results.
df = sv.get_dataframe()
abilab.print_dataframe(df)
# Plot fit
sv.plot()
sv.plotly()
Total running time of the script: ( 0 minutes 1.555 seconds)