[Wien] H core state

[Cesar Lazo]

Dear All,

Below you find the core states for 1ML H/Pd(111), i.e. H adsorbed on a 5 
layers 1x1 supercell of Pd(111). At the end of the list, you find the 1S 
orbital of H listed as core state. The energy of this core state is 0.0 Ry.

Since H has only one electron and it is a valence electron, H shouldn't 
have any core states. Is Wien doing things correctly here? How should I 
interpret the assignment of 0.0 Ry to the 1S electron of H?

Regards


Cesar Lazo

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        1.ATOM      Pd                    9 CORE STATES
:1S 01: 1S                  -1774.919168 Ry
:2S 01: 2S                   -258.849434 Ry
:2PP01: 2P*                  -240.071752 Ry
:2P 01: 2P                   -228.355946 Ry
:3S 01: 3S                    -46.434980 Ry
:3PP01: 3P*                   -39.025576 Ry
:3P 01: 3P                    -36.983031 Ry
:3DD01: 3D*                   -23.869888 Ry
:3D 01: 3D                    -23.462554 Ry

        2.ATOM      Pd                    9 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO02:  2.ATOM        162.605           .000           .000       -162.605

:1S 02: 1S                  -1774.917541 Ry
:2S 02: 2S                   -258.847647 Ry
:2PP02: 2P*                  -240.069970 Ry
:2P 02: 2P                   -228.354162 Ry
:3S 02: 3S                    -46.433421 Ry
:3PP02: 3P*                   -39.024011 Ry
:3P 02: 3P                    -36.981473 Ry
:3DD02: 3D*                   -23.868292 Ry
:3D 02: 3D                    -23.460961 Ry

        3.ATOM      Pd                    9 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO03:  3.ATOM        641.283           .000           .000       -641.283

:1S 03: 1S                  -1774.933307 Ry
:2S 03: 2S                   -258.865247 Ry
:2PP03: 2P*                  -240.087368 Ry
:2P 03: 2P                   -228.371613 Ry
:3S 03: 3S                    -46.451188 Ry
:3PP03: 3P*                   -39.041766 Ry
:3P 03: 3P                    -36.999239 Ry
:3DD03: 3D*                   -23.886136 Ry
:3D 03: 3D                    -23.478808 Ry

        4.ATOM      H                     1 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO04:  4.ATOM           .000           .000           .000           .000

:1S 04: 1S                       .000000 Ry


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