No, you don't need addjoint. Am 28.06.2012 19:27, schrieb soumyajyoti haldar: > Dear Wien2k users and Prof. Blaha > > I am trying to calculate magneto-optical properties of some 3d > transition metal. > For this purpose we need to do spin orbit coupling calculation first. > For normal optics calculation with spin-polarization option we need to > do addjoint_lapw to join case.outputjoint(up/dn) and form case.joint > file. Then we proceed with "x kram" > My confusion is do we need to do addjoint_lapw also for spin polarized > spin-orbit coupling case since the spins are not independent any more. > > any clarification will be very helpful. > > Thanks and regards > > -- > Soumyajyoti Haldar, PhD Student > > Department of Physics and Astronomy, Materials Theory > ?ngstr?m Laboratory, Office ?13235 | Uppsala University > Box 516, SE-75120, Uppsala, SWEDEN > > Phone: (+46) 18 471 5860 > Mobile: (+46) 070 0399 394 > http://www.physics.uu.se/en/page/soumyajyoti-haldar > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
-- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671