Is there a way to preform chemical bonding analysis
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Carlos Bornes
May 21, 2021, 5:38:45 AM5/21/21
to cp2k
Hi,
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.
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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