jarvis.core.spectrum

Module to process spectrum like data.

Module Contents

Classes

Spectrum

Module for spectrum like data, e.g. IR, Raman, DOS, epsilon.

class jarvis.core.spectrum.Spectrum(x=[], y=[], linewidth=5.0, resolution=0.1)

Bases: object

Module for spectrum like data, e.g. IR, Raman, DOS, epsilon.

property num_modes

Get number of modes.

property min_x

Get minimum mode frequency.

property max_x

Get maximum mode frequency.

rescale(mode='max', scaling_factor=1.0)

Rescale the spectrum.

get_peak_indices(window=np.arange(1, 10))

Get peak indices for non-zero peaks.

smoothen_spiky_spectrum()

Smoothen peak for delta function like peaks.

get_interpolated_values(new_dist=np.arange(0, 15, 0.05))

Get interpolated grid on a fixed grid.