Precision and Self-Consistency
******************************

The precision of a calculation is determined by

* The function sets (basis sets, levels of frozen core approximation,
  and fit sets for the computation of the Coulomb potential)

* Numerical integration settings in real space

* The accuracy of the density fitting procedure

* Convergence criteria (for the SCF procedure and the geometry
  optimization)

* A few more items that are rather technical and usually irrelevant
  (these are not discussed here).

The fragments you attach determine, through the fragment files, the
function sets. Since each fragment traces back to one or more Create
runs, the employed database files in the Create runs determine the
function sets that are ultimately used.

In this section we examine numerical integration, density fitting, and
the SCF procedure.

**Numerical Quality**

With the key NUMERICALQUALITY one can set the density fitting quality
(ZlmFit) and the numerical integration quality (BeckeGrid)
simultaneously.

   NUMERICALQUALITY [basic|normal|good|verygood|excellent]

Note that the so-called Excellent quality is only meant for debugging
purposes. In case of real numerical issues the results with Excellent
should not be trusted more than those with VeryGood.

* SCF

* Numerical Integration

* Density fitting

* Hartree-Fock RI scheme

* MBPT scheme

* Dependency (basis set, fit set)
