This keyword specifies the printing of the squares of the elements of the
orthonormalized MO eigenvectors which are essential ingredients for
generating a density of states.
Specification of orbital range for
DOS calculation, first MO through last
Use of the DOS keyword causes Löwdin-orthonormalized MO eigenvectors to be printed.
As printed, each element is the square of the corresponding eigenvector component,
i.e. the sum of the values of the printed eigenvector is unity. Thus, each
element reflects the proportional contribution of an AO to the partial density
represented by that one MO. A density of states (DOS) diagram can be created from
these values. Printing of the vectors can be limited with the MOS option. The
input MOS = <First> - <Last> specifies that only the MOs in the range
<First> through <Last> are printed. Here <First> and <Last>
refer to the (integer) indices of the molecular orbitals. For example, to print
the vectors related to orbitals 10 through 25, the following input can be used: