[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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