| H | | He |
| Li | Be | | B | C | N | O | F | Ne |
| Na | Mg | | Al | Si | P | S | Cl | Ar |
| K | Ca | Sc | Ti | V | Cr | Mn | Fe | Co | Ni | Cu | Zn | Ga | Ge | As | Se | Br | Kr |
| Rb | Sr | Y | Zr | Nb | Mo | Tc | Ru | Rh | Pd | Ag | Cd | In | Sn | Sb | Te | I | Xe |
| Cs | Ba | La | Hf | Ta | W | Re | Os | Ir | Pt | Au | Hg | Tl | Pb | Bi | Po | At | Rn |
| ファイル名 | |
| 原子番号（総電子数） | |
| 電子配置 | |
| 価電子数 | |
| 価電子配置 | |
| エネルギー | |
/usr/share/dacapo/psp/sn_us_f.pseudo
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| PSEUDOPOTENTIAL REPORT FOR ATOMIC SPECIES: 3 |
| pseudo potential version 7 0 0 |
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| Au (US f-loc) Perdew Wang 1991 EXCHANGE-CORR |
| Z(nuclear) = 50. Z(valence)( 3) = 14. |
| Non linear core correction included: yes |
| Core radius non lin core corr.(RPCOR) = 1.20000 a.u.|
| ATOMIC ENERGY = -162.548324781 Ry |
| Self consistent all electron atomic config: |
| INDEX ORBITAL OCCUPATION ENERGY(Ry) |
| 1 420 10.00 -1.901809566 |
| 2 500 2.00 -0.780783535 |
| 3 510 2.00 -0.274920131 |
| Radii for conservation of augmentation charge moments: |
| RINNER(a.u.) = 1.1000 1.1000 1.1000 1.1000 1.1000 |
| (see Phys Rev B 47 10142 (1993), Eq.28) |
| NEW GENERATION SCHEME: |
| Partial wave set used to generate projectors: |
| Number of radial partial waves (NBETA) = 6 |
| Number of radial gridpts per wave (KKBETA) = 721 |
| Pseudiz. radius for the local pspot (RCLOC) = 2.40 a.u.|
| Partial wave set for generating the pseudopot: |
| IBETA L EPSILON(Ry) RCUT(a.u.) |
| 1 0 -0.780781354 2.00 |
| 2 0 -0.274919798 2.00 |
| 3 1 -0.780781354 2.20 |
| 4 1 -0.274919798 2.20 |
| 5 2 -1.901809545 1.70 |
| 6 2 0.000000000 1.70 |
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NCORE: 3 11.56554265660793
Number of different projectors : 38
Number of projectors : 1044
PSP: Valence-Z 14.0000
PSP: Core-alpha 189.0061