Hi Kevin,
From the data you sent me, surface alignment with anatomical volumes is correct. The only strange thing that might be the problem is your functional data. It looks like you had partial brain coverage in the axial plane. That by itself is OK if that is indeed what you scanned. But given that this is delay data and the occipital lobe was not fully covered, I suspect there is something fishy here. Also, there's a bulge in the functional data that seems to extend outside the frontal part of the head. Just turn See Overlay on in AFNI without any thresholding and you'll see what I mean.
cheers,
-z