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Polarizability Derivatives and Raman Spectra
Calculations of polarizability derivatives by the egrad program
use the same specifications in the $scfinstab
data group
as polarizability calculations by escf.
$scfinstab polly
specifies derivatives of the static polarizability, while


requests derivatives of the dynamical polarizability at the given frequency.
Note that, unlike polarizability calculations, multiple frequencies are not
allowed. Polarizability derivatives have to be projected onto vibrational
normal modes to obtain Raman intensities, see Chapter 12
for further details.
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