[Pw_forum] output of g_tensor in GIPAW

[Davide Ceresoli]

Gregor Mali wrote:
> Dear PWscf/GIPAW users,
> 
> does anybody know, what are the units and what is the actaul physical
> quantity, which is given as the output of the DFT/GIPAW calculation
> (job='g_tensor') and is named 'Delta g - total'?
> 
> The tensor, that I've got as a result, has very large eigenvalues (on
> the order of 10^5). So either something is wrong with my calculations or
> the 'Delta g' tensor is not simply g-2.000, what I thought it would be.
Hi Gregor,
     Delta_g_total is in ppm, that is: (g-2.0)*10^6.

> I also wonder in which coordinate system the tensor is expressed. Is
> this the same coordinate system as the one in which the dipolar-coupling
> tensor of 'hyperfine interaction calculation' is given?
It's all in Cartesian coordinates.

> Thank you very much for your help.
> 
> Gregor Mali

Davide