Local decomposition of raman spectrum in CP2K?

jnap... at gmail.com jnap... at gmail.com
Tue Aug 23 22:21:47 UTC 2016


I am interested in using CP2K to compute a raman spectrum and am interested 
in decomposing it into local contributions, as suggested 
in http://scitation.aip.org/content/aip/journal/jcp/141/9/10.1063/1.4894425. 
However, the feature as implemented in CP2K does not seem to support this 
functionality, or at least it is not clear to me from the documentation 
Does anybody know whether this is correct?

Thank you!
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