I have successfully ran multiple CASTEP Calculations on molecule in a box structures, and was able to produce a band structure (.xcd graph) from that data. However, more often than not I am unable to produce these graphs. I believe this is happening because when trying to produce the band structure in the CASTEP Analysis window, it is extracting the wrong "Results File" (see image below). In the image it is extracting a file called "SIHPEGbox.castep" when it should be extracting the file "SIHPEGbox_BandStr.castep" which was a file produced after the CASTEP calculation which is seen in the directory (image below). When trying to change the results file by clicking the "..." icon next to the name, it won't allow me. Therefore leaving me with no completed band structure graph for that structure. 

For the limited successful structures I have produced a band structure graph with, I was able to change the "Results File" in the CASTEP analysis tab. The image below with the structure titled "SOFVUG02box" allows me to change the results to "SOFVUG02box_BandStr.castep" file by clicking the "..." icon which then allows me to produce the correct Band Structure Graph.

Any ideas on how to be able to change the "Results File" and produce the band structure graphs for structure like "SIHPEGbox".