[CP2K-user] [CP2K:16932] Unwrapped Wannier Center Output

Florian Pabst email.to.pabst at gmail.com
Mon May 9 14:30:03 UTC 2022


Dear all,

I am trying to print the Wannier centers of my simulation as unwrapped 
coordinates, just like those of the trajectory. However, they always get 
wrapped into the simulation cell, no matter what I try. Can anybody help me 
with this?

Thanks in advance,
Florian

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