[Wien] optics calculation with spin orbit coupling

[soumyajyoti haldar]

Dear Prof. Blaha

thank you for your reply.

/Soumyajyoti
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[Wien] optics calculation with spin orbit coupling

[Peter Blaha]

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

[Wien] optics calculation with spin orbit coupling

[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
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