Hi,
Sorry for the late reply, but this is vacation times...
I didn't see any obvious errors in your script. Also did you see any error messages - there are none in the Phonon_Trans.log file.
You can maybe try with this slightly modified script:
path = '/home/utpal/Utpal/Jyoti/ATK/Thermoelectric_BeX2/BeX/device_pentag/DFT/Device_Pentag_DM.hdf5'
dynamical_matrix = nlread(path, object_id='dynamical_matrix')[0]
dynamical_matrix.update()
configuration = nlread(path, object_id='DeviceConfiguration_0')[0]
qpoint_grid = MonkhorstPackGrid()
phonon_transmission_spectrum = PhononTransmissionSpectrum(
configuration=configuration,
dynamical_matrix=dynamical_matrix,
energies=numpy.linspace(0,0.5,101)*eV,
qpoints=qpoint_grid,
infinitesimal=1e-06*eV,
self_energy_calculator=RecursionSelfEnergy(),
)
nlsave('Phonon_Trans.hdf5', phonon_transmission_spectrum)
nlprint(phonon_transmission_spectrum)