A numerical study was conducted to identify the mechanisms involved in the destabilisation of centrifugal compressors with vaneless diffusers. A stability analysis—carried out on the rotating and fixed parts of the studied machines—showed that the vaneless diffuser is a limiting component at a low mass flow rate. It was demonstrated that the reorganisation of stall patterns into recirculation in the inducer stabilises the impellers’ flow fields. As the destabilisation of vaneless diffusers has been a recurrent topic in the literature, many models have shown that it is the inlet-flow angle that drives the loss of stability. Models from the literature have estimated critical angle values using the geometry of the diffuser. Thus, for a given stage, expressing the diffuser inlet-flow angle as a function of the mass flow rate allows one to estimate its stability limit. However, this law needs to be calibrated to consider each compressor’s geometrical and aerodynamic specificities. This calibration can be achieved through single-passage steady simulations performed at stable operating points with high mass flow rates. With this methodology, a designer can estimate the stability limit of a centrifugal compressor with a vaneless diffuser from single-passage RANS calculations.