[Wien] updated email for -SP+SO case

[Dr. K. C. Bhamu]

Thank you very much Gavin for more clarification.

Now I have few more queries, please see :


For the -sp with -so, the spin orbit couples the spin up and dn together.
So it seems that you can only get a single mixed metallic-semiconductor
case as you have mentioned above.

1. As the system is halfmetal, should I follow the steps to be done for
metals (calculations of plasma frequency)? I am not sure for this as we are
changing TETRA to 101.0.
2. Need to recompile optic package? I am 100 % sure just for confirmation.

3.  As mnetioned in one of the thread of prof. Prof. peter (and your above
statment):
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00607.html


" X spaghetti -so -up   or   -dn gives the "same" bandstructure, only the
"fat-band" representation will be different, since up and dn-spin
projections are different.

So how we correlate density of states with band structure  as we are able
to get DOS for -up and -dn ?



Kind regards

Bhamu


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