[CP2K-user] breaking periodicity

Amitava Banerjee amita... at gmail.com
Tue Feb 9 19:39:20 UTC 2021

I guess, may be it is a problem with OVITO, which is just doing the 
bounding box...

On Tuesday, February 9, 2021 at 9:37:47 AM UTC-7 Amitava Banerjee wrote:

> Hi 
> I have optimized (GEO_OPT) the system with PERIODIC  XYZ. But the 
> optimized structure showing overlaps at the edge, as shown in the attached 
> image.
> Also the inp file is attached here
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