[CP2K-user] [CP2K:16707] obtaining atomic polar tensor or effective born charges in vibrational calculations

Roel Van de Ven roelvandeven17 at gmail.com
Mon Mar 14 11:57:18 UTC 2022


Hi all, 

I am running vibrational calculations and want to obtain the atomic polar 
tensors (some times also called the born charges). How can one do this 
within cp2k? I tried setting the print level to high, but it is not printed 
in the output file or any of the other files. Can someone help me with 
this? 

Kind regards, 
Roel v/d Ven

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