Degeneracies in Optical Modes in relation to Heat Capacity in a Solid

[war485]

Technically I'm supposed to have a total of 8 optical modes but only 4 of them were seen in a solid (by spectroscopy). So I suspect there's some degeneracies and symmetries involved, but I don't know which ones.
I have two sets of assigned degeneracies:

frequency; degeneracy set 1; degeneracy set 2
f#1 ; 2 ; 5
f#2 ; 2 ; 1
f#3 ; 2 ; 1
f#4 ; 2 ; 1

This is what I'm attempting below:
I'm doing some quick calculations assuming Einstein's model of a solid for heat capacity at several temperatures.
What I want is to find the individual contributions of each optical mode to the heat capacity.
For each frequency per degeneracy set, I'm taking: (calculated heat capacity)*(4 observed modes)*(corresponding degeneracy assignment for given frequency) / (8 total optical modes).
For example, for f#1: (heat capacity)*(4*2/8) + (heat capacity)*(4*5/8).
Is that the correct way to incorporate/weigh/factor/scale degeneracy into heat capacity per optic mode?

 

[Greg Bernhardt]

Thanks for the post! Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?