[CP2K-user] [CP2K:16948] Issue with Voronoi & Au Nanoparticle

Sam Broderick waveman68 at gmail.com
Wed May 11 08:53:36 UTC 2022


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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