[Wien] Spin-polarized and spin-orbit
Lukasz Plucinski
pluto at physics.ucdavis.edu
Thu Jun 12 11:34:12 CEST 2008
Most likely this was already covered, however, maybe someone can give me
quick answer or a reference.
Experiment is MLD on Co/Cu(100). I would like to calculate
spin-polarized (sp) band structure of fcc Co with spin-orbit (SO).
Is is possible ? Which parameters are most crucial ? How to include SO ?
-- should I calculate sp first, and then add SO ?
Then I would like to know the symmetry of such bands -- as Prof. Blaha
mentioned this is included in 'irrep' module, but does it work when both
sp and SO are included ?
I believe that sp with SO is not an easy task. Are there any fundamental
limitations in Wien2k ?
Lukasz
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