[CP2K-user] [CP2K:18147] Re: Buckingham potential in CP2K

[Matt Watkins]

I know the Buckingham potential as what is called 'Williams' in cp2k
https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/WILLIAMS.html

there is also a buck4ranges potential
https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/BUCK4RANGES.html

or the genpot potential you could put together to get your desired 
interaction.

Matt
On Friday, 2 December 2022 at 22:17:14 UTC qumingzi... at gmail.com wrote:

> [image: 243121670019018_.pic.jpg]
> Hello everyone, I have found this potential in the literature, I have 
> found BMHFTD in NONBONDED(FIST) very suitble. I have found the  last 2 
> terms,  Vdisp can be found in the red block. The Vpol can be setted as 
> DIPOLE. But how can I set the first 2 terms? 
> [image: 243131670019294_.pic.jpg]
> Thank you very much!
>

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