[CP2K-user] Hyperfine Coupling Tensor

ma...@gmail.com ma455... at gmail.com
Tue May 25 05:53:25 UTC 2021


Hi,

When calculating the hyperfine coupling tensor, the results contain two 
types of isotropic hyperfine constants, namely Sca-Rel A_iso and Non-Rel 
A_iso. I'm wondering what are the differences between these two types of 
hyperfine constants and which one do we normally use?
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Regards,
Hongyang
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