Quasiharmonic EOS quasiharmonic
Data:
cold_curve (see below)
number_of_kinetic_modes_per_molecule
For each:
w(v) dw(v)/dv d2w(v)/dv2 degeneracy
molecular_mass
hbar kBoltzmann
Notes:
- Cold curves are also polymorphic objects, described
separately..
- Each function of w (angular frequency) is a WXMATHS
Realfunction1d * object.
- Angular frequencies, mass and the physical constants must be specified
in units consistent with the calculation.