#!/usr/local/bin/python3.8 r""" Speed of Sound ============== 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()