Inverse Participation Ratio

[JQ]

Dear CP2K developer,

Could I check with you that is there a ready made routine for the computation of Inverse Participation Ratio (IPR) for the MO states?

Thanks.

Best,

JQ

[JQ]

Dear CP2K developer,

As mentioned, I am interested to compute the Inverse Participation Ratio (IPR) of Molecular Orbital states. For example, ith MO state has its IPR as: 

\sum_{j} (c_{ij})^{4} / (\sum_{j} (c_{ij})^{2})^{2}, where c_{ij} refers to the expansion coefficient of the ith state in Gaussian-type orbital.

My question is that are the PDOS components given by CP2K basically the (c_{ij})^{2} of the MOs? 

If that is the case, I could print out all the components (px, py, pz and so on) of individual atom by FORCE_EVAL/DFT/PRINT/PDOS/COMPONENTS

Thereafter, I could compute the IPR required. 

Please correct me if I have made any mistake in my interpretation. It will be helpful if the other users could also point out how to print out the expansion coefficient of Kohn-Sham state in GTOs. Thank you.