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Enhancement or depletion of a spin-orbit coupling

To study the effect of a spin-orbit coupling, it is possible to generate a pseudopotential with a larger or smaller spin-orbit coupling compared to that in a real atom. The scaling factors can be specified to each angular momentum quantum number by the following keyword:

   <SO.factor
    0  1.0
    1  0.5
    2  2.0 
   SO.factor>
The beginning of the description must be $<$SO.factor, and the last of the description must be SO.factor$>$.

The number in the first column corresponds to that in the keyword 'pseudo.NandL', and a scaling factor is given for each pseudopotential by the second column, where '1.0' corresponds to the spin-orbit coupling in a real atom. One can control the strength of spin-orbit coupling by changing the scaling factor.



2011-09-28