[CP2K-user] [CP2K:19429] units of psi^2

[Lukas C]

hi everyone!

I am using the cp2k implementation to calculate hyperfine tensors. no 
problems here so far, i got some results using an all-electron basis set.

now, unfortunately, i cannot find any information on how this is done 
internally and also i cannot assign the units. e.g. in which units is 
|Psi(x,y,z)|^2 ? I know that it has to be normalized, but to which volume?

one starting point was the vasp manual, in which they clearly say how the 
calculations works. https://www.vasp.at/wiki/index.php/LHYPERFINE

does cp2k work similarly?

Thank you!

Best,
Lukas

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