[CP2K-user] Is there a way to preform chemical bonding analysis

Carlos Bornes cbor... at gmail.com
Fri May 21 09:38:45 UTC 2021


I was wondering if there is any CP2K implementation of the Lobster program 
or any sort of alternative to performing chemical bonding analysis.

The lobster program I'm talking about is the one is this 
link http://www.cohp.de/. According to their website is only implemented 
for VASP, QE, and Abinit as I believe it requires plane-wave DFT.

I'm also open to an alternative to this so just let me know, how you go 
about doing this for your calcualtions.
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