> In the UG, page 147, I notice the following for the optical properties > calculations ---- > > In cases of non-spinpolarized calculations WITHOUT inversion symmetry > AND spin-orbit coupling, > one must do some tricks and ?mimick? a spinpolarized calculation:
Sorry for the bad English. It should read: In cases of non-spinpolarized spin-orbit calculations WITHOUT inversion symmetry .... > As I understand, the first sentence is saying that the case is non-spin > polarized but has no "Inversion symmetry" and no "spin-orbit coupling". > 2/ Another question: > > Does the current "OPTICS" support the LDA+U? Yes. -- Peter Blaha Inst.Materialchemie, TU Wien Getreidemarkt 9 A-1060 Vienna Austria
