[Wien] (no subject)

[Stefaan Cottenier]

> in my -so + -orb calculation, there is  "-orb -du" after " -orb -dn", what
> 's the meaning of "-du"

You are right, this isn't mentioned in the UG (to the authors: maybe this
can be added somewhere?). However, if you do 'x orb -h' (the short command
line help), you'll read the answer:

-up   ->        runs up-spin
-dn   ->        runs dn-spin
-du   ->        runs up/dn-crossterm

As far as I know, such cross-terms are only there when spin-orbit is used
(otherwise, up and down are completely uncoupled anyway).

Stefaan



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