yaml_read_band

esta.phonon.yaml_read_band

read band.yaml file output from the phonopy code and write the specific phonon q point freqency in cm^{-1}.

read_yaml_band(filename=None, qpt_index=None, outfile=None)

Parameters:

• filename (str, default: None ) –

  name of the filename containing band data in yaml format, default is band.yaml

• qpt_index (integer, default: None ) –

  qpt index for which frequency data to be read, default is first qpoint.

• outfie (str) –

  outfile is name of the output file, default is band_cmii.dat

Returns:

• freq ( array of reals ) –

  vibration frequencies in cm-1