[CP2K-user] cohp type analysis in cp2k

Gayathri Vijayakumar gayathr... at gmail.com
Mon Jun 7 05:05:23 UTC 2021

Hi all,

Is it possible to do a Crystal Orbital Hamiltonian Population (COHP) 
analysis  or something similar to that  in order to determine the bond 
order for ad atom-substrate interactions?  

COHP is possible in VASP and QE.

Can somebody throw light on how it can be done in cp2k?

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