alternate tools for bond critical points and paths ?

Bader charge density analysis

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bh1
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Joined: Wed Sep 14, 2016 11:02 pm

alternate tools for bond critical points and paths ?

Post by bh1 »

Hi all,

I am new to the field and downloaded and ran Bader analysis tool on some VASP output files. I can read and visualize volumes, but I am also interested in finding bond critical points and bond order. Searching this form tells me that Bader tool does not (yet) output this data.

Can anyone point me to another tool which can give me bond critical points, bond order, and possibly even bond paths ?

Thanks.
graeme
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Re: alternate tools for bond critical points and paths ?

Post by graeme »

The critic2 project looks like it might have some valuable extensions to what we have here. They do at least mention critical point determination.
Here is a link: http://azufre.quimica.uniovi.es/software.html#critic2
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