Build Info: Fragments and Function Sets

See the print options eprint:frag, eprint:sfo and functions.

• Correspondence between fragments in the molecule and the corresponding master fragments
  on the pertaining fragment file. (This output is by default off)
• SFOs: the Symmetry combinations of Fragment Orbitals. The SFOs are the basic conceptual entities
  for the analysis of MOs and other results.
  Note: The FO coefficients that expand the SFOs are normalized in the sense that they add up (squared) to unity.
  The resulting SFO function is not necessarily a normalized function. The FOs are normalized,
  so it depends on the overlap between the FOs what the self-overlap and hence the norm of the SFO is.
  Also printed are, for each subspecies in each irrep separately, the indices of the elementary basis functions
  from which the FOs and hence the SFOs are built up. (The overlap matrix of SFOs is printed much later,
  in the SFO Populations section after everything (SCF, Geometry) has cycled to convergence).
• The elementary basis functions, fit functions, and the frozen-core levels of the atoms.
  First the lists of function sets, defined by radial behavior and the angular quantum number,
  are printed for all atom types on which the functions are centered. Thereafter follows the complete BAS
  list where the function sets have been expanded over all atoms (the sets are printed only for the
  atom types) and also over all Cartesian harmonics (6, not 5 d-functions, et cetera).
  In this printout the numbering can be found to which the SFO survey above refers.