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. 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? Thank you very much for your help. Gregor Mali Gregor Mali National Institute of Chemistry Ljubljana Slovenia
