Raman spectrum using real time propagation

[Marcella Iannuzzi]

Hi

or you could use linear response:

CP2K_INPUT <http://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / PROPERTIES 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PROPERTIES.html> / 
LINRES 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES.html>
 / POLAR 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/POLAR.html>

regards
Marcella

On Thursday, November 13, 2014 12:21:05 PM UTC+1, mohamed khuili wrote:
>
> Hello,
> help me to calculate the Raman spectrum using real time propagation, 
> knowing that I got the dipole moment varies in time with the real time 
> propagation for the electron dynamics
> Thank you very much
>
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