`ev`

, `nm`

, `1/cm`

, or `a.u.`

(default). The frequencies
may be either purely real or purely imaginary. For example, to
calculate dynamic polarizabilities at 590nm and 400i nm
(i is the imaginary unit), specify
$scfinstab dynpol nm 590 400 iand run

`escf > escf.out &`- .

`escf.out`

in the above example).
The conversion of the optical rotation in a.u. to the specific rotation
[*α*]_{ω} in deg⋅[dm⋅(g/cc)]^{-1} is given in Eq. (15)
of ref. [80].

[α]_{ω} = C⋅δ(ω) |
(7.13) |

where

Please note, that

Note that convergence problems may occur if a frequency is close to an electronic excitation energy. This is a consequence of the (physical) fact that the response diverges at the excitation energies, and not a problem of the algorithm.

Static polarizabilities are calculated most efficiently by specifying

$scfinstab pollybefore starting