[CP2K-user] [CP2K:16984] Re: Issue with Voronoi & Au Nanoparticle

[Sam Broderick]

Additionally, the plugin does not start at all when the keyword &VORONOI is 
followed by anything besides ON.

Any help would be very greatly appreciated!

Many Thanks
Sam

On Wednesday, May 11, 2022 at 10:53:37 AM UTC+2 Sam Broderick wrote:

> Hi
>
> After some initial struggles with switching to metals, I was able to 
> maintain the symmetry with this in the &SUBSYS:
>     &PRINT
>       &SYMMETRY
>         SYMMETRY_ELEMENTS
>       &END SYMMETRY
>     &END PRINT
>
> I have encountered a new problem with the Voronoi plugin hanging (gpu 
> environment). It just hangs:
>
> VORONOI| Voronoi tessellation and integration over grid...
>
> Has anyone else encountered this? 
>

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