[CP2K-user] [CP2K:16738] PBC (periodic boundary condition)

Theoretical Molecular Modeling gaussianbilgi at gmail.com
Sat Mar 19 08:23:01 UTC 2022

Hello dear cp2k users
Does the cp2k program calculate infrared vibration in the PBC (periodic 
boundary condition) phase or does it only do it in the gas phase?

best ,


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