How to obtain derivatives of electric dipole moments and polarizabilities?

Zhitao Shen zhitao... at
Mon May 16 11:54:23 UTC 2016

Dear All,

CP2K offers static methods to calculate IR and Raman spectra, i.e., taking 
advantaging of the linear response method. In the "VIBRATIONAL_ANALYSIS" 
calculations, the IR intensities can be printed. So the dipole moment 
derivatives must also have been calculated, but how to print them? 

In addition, how to obtain the derivatives of polarizabilities in a 
"DO_RAMAN" calculation.

Thank you very much!

Best regards,

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