Fit functions

is again a list of Slater type functions. These are used for an expansion of the density. The Coulomb potential due to the electronic charge distribution is computed from this expansion, see Chapter 1.2.

The format of this section is similar to the basis functions:

FIT
  1s 10.8
  ...
  ...
  (etc.)
  ...
end

The program cannot handle fit functions with l-value higher than 4, i.e. not higher than g-type functions. Bear this in mind if you construct alternative fit sets.

In view of the next item, one is well advised to put the s-functions first.