kaldo.phonons.Phonons.heat_capacity¶

property Phonons.heat_capacity¶

Calculate the heat capacity for each k point in k_points and each mode. If classical, it returns the Boltzmann constant in J/K. If quantum it returns the derivative of the Bose-Einstein weighted by each phonons energy. .. math:

c_\mu = k_B \frac{\nu_\mu^2}{ \tilde T^2} n_\mu (n_\mu + 1)

where the frequency $\nu$ and the temperature $\tilde T$ are in THz.

Returns:: c_v – heat capacity in J/K for each k point and each mode
Return type:: np.array(n_k_points, n_modes)