Notes

• In an unrestricted calculation the section SCF_label is replaced by SCF_label_A and SCF_label_B
  for the spin-alpha and spin-beta data, respectively, and similarly for LocOrb: LocOrb_A and LocOrb_B.
• One or more subspecies may not have been used in the adf calculation.
  This happens when the basis set used in that calculation does not contain the necessary functions
  to span symmetry-adapted combinations of basisfunctions for that subspecies.
  In such a case the corresponding section on TAPE41 will not be created by densf.
• If you want to verify the contents of TAPE41, use the pkf utility to obtain a
  survey or dmpkf to get a complete ascii printout.