[Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help

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[Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help

SO couples spin-up and dn, thus you get only one band structure. Still, you could use the fat-bands and indicate the spin-up and dn character of each band. In most cases you will still see a clear domination of either spin-up or dn in a single (mixed) eigenvalue. The same we do for the DOS: we

[Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help

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[Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help

Of course you get two different DOS plot for up and dn. Add them together and you get the total DOS corresponding to your bandstructure. You also get two different DOS for s and d states of an atom, although you have only ONE band structure and not one bandstructure for s and another one for

[Wien] DOS plot for spin-up and spin-down are different even with the application of spin-orbit coupling. Shouldn't it couple each other. Pls help

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[Wien] fat band plots for spin-up /dn for bandstructure

Dear Wien users Dear Prof BLAHA How can i do a fat plots for a spin up/dn for my band structure with SO coupling. thinks -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120411/8117a75f/attachment.htm