[Wien] Again... plotting Rashba or similar states

[pluto at physics.ucdavis.edu]

Dear All,

Could you please comment (see below)?

Regards,
Lukasz


-------- Original Message --------
Subject: 	[Wien] Plotting Rashba or similar states
Date: 	Thu, 20 Feb 2014 02:10:13 -0800 (PST)
From: 	pluto at physics.ucdavis.edu
Reply-To: 	A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
To: 	wien at zeus.theochem.tuwien.ac.at


Hello Wien2k experts,

Could you let me know how to visualize the spin_up/spin_dn band character
for the SOC calculation without exchange interaction? The classical
example would be to visualize the spin texture of the Au(111) surface
state.

Do I need to make one ferromagnetic+SOC iteration at the end of the SCF
cycle?

Once has to define the spin quantization axis in initso_lapw. Can I change
the spin-quantization axis without re-doing the entire SCF cycle?

I appreciate any suggestions.

Regards,
Lukasz


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