[Wien] optics calculation with spin orbit coupling

soumyajyoti haldar shaldar.mail at gmail.com
Thu Jun 28 19:27:51 CEST 2012


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
Ångström Laboratory, Office Å13235 | 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
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