[Wien] Spin-orbit

[Lyudmila Dobysheva]

> 1 1 0 0 0                    number of atoms for which SO is switch off;
> atoms

Maybe this is also your problem: you have switched off the spin-orbit 
interaction. BTW, you should receive the splitting even without the p1/2-LO, 
in a standard SOI calculation. Inclusion of this LO will only change the 
energy difference between them.

As Stefaan writes, use something like
 1     -0.86    0.005 STOP    atom number,e-lo,de (case.in1), repeat NX times
 0 1 0 0 0          number of atoms for which SO is switch off; atoms

I see from the first iteration that these p1/2 states are at -0.86 Ry.

Best regards
Lyudmila Dobysheva
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