[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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