3.3 Questions

Overlap matrix in BAS representation

How do I get the overlap (S) matrix in the BAS representation?
It is stored on a scratch file TAPE15, which is normally deleted at the end of the calculation because it can be pretty big. To retain that file, insert 'SAVE TAPE15' in your input, see the Save key.
TAPE15 is a KF file, which you can manipulate with the KF utilities. On TAPE15 the overlap matrix is stored as the variable 'smat' in the section 'Matrices', in reduced (triangular) format: (1,1), (1,2), (2,2), (1,3) et cetera