[CP2K-user] [CP2K:16991] Metadynamics using cp2k with CNs as CV

[Meili Liu]

Dear all,

I am a newer, I learn to use cp2k to run metadynamics with one CV (Si atom 
coordinated with bridge-Oxygen), When I analyzed the FES, I don't 
understand the phenomenon that CN is 0 (showed in fig. 1, and second list 
in fes_2.5ps.dat), it is not consistent with my structures (3 Si-O(bridge 
Oxygen)). And the attached are my input file and fes_2.5ps.dat (obtained 
from graph.popt -ndim 1 -ndw 1 -file Meta_CV_5000.restart -cp2k). Could 
someone give me any suggestions ?
Thanks a lot.

Best,
Meili





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