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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