[CPMD-list] Power spectrum of the electronic degrees of freedom

[Łukasz Walewski]

Hi,

This question has been raised already
(http://cpmd.org/mailman/htdig/cpmd-list/2006-November/003574.html) but
is still left unanswered: how to calculate the power spectrum of the
electronic degrees of freedom, i.e. Eq. (47) from
http://www.theochem.ruhr-uni-bochum.de/research/marx/marx.pdf

The problem is how to get the velocity autocorrelation function of the
electronic DOF from CPMD simulation ?

Regards,
Lukasz