[CP2K-user] breaking periodicity
Amitava Banerjee
amita... at gmail.com
Tue Feb 9 16:37:47 UTC 2021
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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