when you set two resonators face to face to transfer power through coupling, the coupling intensity depends on the separation distance between the two resonators. at short distances, the coupling is strong and splitting of resonant frequency occurred, and two peaks Fe and Fm appears around the resonant frequency. the coupling coefficient can be calculated from the following formula
K=Lm/L=(Fe2-Fm2)/(Fe2+Fm2).
Where K is the coupling coefficient, Lm is the mutual inductance, and fe and fm are the electric and magnetic walls that are easily extracted from the simulated S-parameters.
If you are talking about the coupling between antenna resonators, then the simplest way is to take you the coupling coefficient as S12 or S12.
If you are talking about filter resonators, then you can have a look at the paper I've attached here. In CST, you need to put ports on your resonators and follow the procedure described in the attached paper.
Hope this can help :o)
Article Design of miniaturized planar cross‐coupled resonator filters