[CP2K-user] [CP2K:16213] Re: Hyperfine Coupling Tensor

[Carlos Bornes]

Dear  Hongyang

Sorry for not being helpful in answering your question but I was wondering 
what did you add to the input file to get the Hyperfine Coupling Tensor. 
Can you please share that here?

Thanks
Carlos

A terça-feira, 25 de maio de 2021 à(s) 06:53:25 UTC+1, ma455... at gmail.com 
escreveu:

> 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?
> ======================================================================
> [image: Xnip2021-05-25_15-51-20.jpg]
> ======================================================================
>
> Regards,
> Hongyang
>

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