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It is possible to generate pseudopotentials for unbound states with for any higher
L-component by Hamann's scheme [7]. For example, although no electron is
occupied for the 3d state in the input file 'C.inp', the cutoff radius for the 3d state
can be spefified as follows:
number.vps 3
<pseudo.NandL
0 2 0 1.3
1 2 1 1.3
2 3 2 1.0
pseudo.NandL>
The pseudopotential generation of the 3d state will be generated with the cutoff radius,
and then the reference energy is 0.0 (a.u.).
A principal number and an angular momentum quantum number for the unbound state
should be given as the state above occupied states but with the smallest principal number.
2008-06-20