Anisotropic hyperfine coupling tensor is not traceless

[Hossam Elgabarty]

Hi,

It seems that with cp2k 2.6 and 2.7 I am getting anisotropic hyperfine 
coupling tensors that are obviously wrong. The tensors are not traceless, 
and in many cases the diagonal elements are too big. 

Same input file gave valid results with earlier versions of cp2k (at least 
with 2.4 and 2.2)

For comparison, here is the HF coupling tensor from cp2k release 2.2:
       -0.5364982914        -0.0129779994         1.4359749069
       -0.0129779994         0.9889710999         0.2209070999
        1.4359749069         0.2209070999        -0.4524728084

and here is the one I get from 2.7 (rev16340):
       -0.5367076597         0.0671669740         1.4344471542
        0.0671669740        -6.8050094579        -0.4097927745
        1.4344471542        -0.4097927745        -0.4513052823

attached please find sample input & output files.

Kindest regards,

Hossam
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