[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?
Thanks
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