[CP2K-user] Could CP2K print the coordinate center of mass under periodic condition
Junbo Lu
luju... at gmail.com
Tue Jul 13 03:50:21 UTC 2021
Hello everyone,
I want to use CP2K to calculate diffusion coefficient. Does CP2K
trajectory substrate the coordinate of center of mass? If not, we should
know the coordinate of center of mass. But I search the CP2K manual, there
is no way to print coordinate of center of mass.
With my best regards,
Junbo
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