Wave function analyzing tool.
This section is aimed to analyze the final Hartree-Fock wave function by using one or more analysis modules. By default none of them is activated.
Print vectors. Activates the *PRIVEC subsection.
Perform Mulliken population analysis [Mulliken1955]. Continues to *MULPOP subsection.
Perform projection analysis [Faegri2001] Activates the *PROJECTION subsection.
Write density to a formatted file in Gaussian cube format. Activates the *DENSITY subsection.
Localize orbitals using the Pipek-Mezey criterion [Dubillard2006] .
Continues to the activated *LOCALIZATION subsection. Note that in the present implementation this only works in \(C_1\) symmetry.