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Sulfur (S, Z=16)
Basic properties are computed by the atom-DFT program (atom_dft) based on the density functional theory with the local-density approximation [J. P. Perdew and Alex Zunger, Phys. Rev. B 23, 5048 (1981)].
Total energy
-396.7095 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -87.790656 | -2388.9242 |
| 2s | 2 | -7.699883 | -209.5261 |
| 2p | 6 | -5.751246 | -156.5006 |
| 3s | 2 | -0.630953 | -17.1692 |
| 3p | 4 | -0.261818 | -7.1245 |
