Created attachment 274 [details] see comment Attached plot is total energy released by deexcitation of Gd158 [80 keV] in IT mode. In ~80% on cases, there are violation of energy conservation : energy missing.
*** Problem 1639 has been marked as a duplicate of this problem. ***
I ran 158Gd[79.513] with IC (internal conversion) turned on. The IT transitions look like they are conserving energy in the gamma emission case (20% of the time for Gd). The other 80% of the time the IT proceeds by internal conversion and an electron is emitted. In this case the atomic electron has to overcome its binding energy when leaving the atom and this is the source of the energy non-conservation you see in your plot. The tabulated electron binding energies in this case are 7.24 keV and 50.24 keV, which closely match the energy non-conservation seen in the run. Presumably, if the atomic relaxation model is turned on, then summing up all the resulting atomic x-rays should make up for most of the binding energy difference, but it seems that the IT and IC codes are working properly and no fix is required.