[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 ,
Cobra
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