Re: CCL:magnetic shielding tensors



 Well, a shielding tensor is a mixed second derivative of the (electronic)
 energy with respect to a component (x,y,z) of the external magnetic field
 and a component (x,y,z) of a nuclear magnetic moment. I do not understand
 why you expect the tensor to be symmetric. It *can* be symmetric (e.g. if
 symmetry dictates that it is diagonal), but in general it is not, and is not
 expected to be.
 +---------------------------------+----------------------------------+
 | Prof. Christoph van Wüllen      | Tele-Phone (+49) (0)30 314 27870 |
 | Technische Universität Sekr. C3 | Tele-Fax   (+49) (0)30 314 23727 |
 | Straße des 17. Juni 135         | eMail                            |
 | D-10623 Berlin, Germany         | Christoph.vanWullen ( ( at ) ) TU-Berlin.De
 |
 +---------------------------------+----------------------------------+