====== 水素 ======

|**[[psp:hydrogen|H]]** |                                ||||||||||||||||He|
|Li|Be|                    ||||||||||B |[[:psp:carbon|C]] |N |[[:psp:oxygen|O]] |F |//Ne//|
|Na|Mg|                    ||||||||||Al|Si|P |S |Cl|//Ar//|
|K |Ca|Sc|Ti|V |Cr|Mn|Fe|[[:psp:cobalt|Co]]|Ni|Cu|Zn|Ga|[[:psp:germanium|Ge]]|As|//Se//|//Br//|Kr|
|//Rb//|Sr|Y |Zr|Nb|Mo|//Tc//|Ru|Rh|Pd|Ag|Cd|//In//|[[:psp:tin|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|''/usr/share/dacapo/psp/ch_e9g4.pseudo''|
^原子番号（総電子数）| 1|
^電子配置|(1s)<sup>1</sup>|
^価電子数| 1|
^価電子配置|(1s)<sup>1</sup>|
^エネルギー|-12.515696072000001 [eV]|

 PSP: pseudo-potential file for specie             1 :
   /usr/share/dacapo/psp/ch_e9g4.pseudo
    ============================================================
    |  PSEUDOPOTENTIAL REPORT FOR ATOMIC SPECIES:  1           |
    |        pseudo potential version   7   0   0              |
    ------------------------------------------------------------
    |  hydrogen             Perdew Wang 1991    EXCHANGE-CORR  |
    |  Z(nuclear) =   1.    Z(valence)( 1) =   1.              |
    |  Non linear core correction included:  no                |
    |  Core radius non lin core corr.(RPCOR) =   0.00000   a.u.|
    |  ATOMIC ENERGY =   -0.920271770 Ry                       |
    |  Self consistent all electron atomic config:             |
    |  INDEX    ORBITAL      OCCUPATION      ENERGY(Ry)        |
    |    1        100           1.00      -0.481067649         |
    |  Radii for conservation of augmentation charge moments:  |
    |  RINNER(a.u.) =   0.9000
    |  (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) =      2         |
    |  Number of radial gridpts per wave (KKBETA) =    403     |
    |  Pseudiz. radius for the local pspot (RCLOC) =  0.87 a.u.|
    |  Partial wave set for generating the pseudopot:          |
    |    IBETA   L        EPSILON(Ry)   RCUT(a.u.)             |
    |      1     0      -0.481063112     0.90                  |
    |      2     0       0.900000000     0.90                  |
    ============================================================
   PSP:                       Valence-Z            1.0000
   PSP:                       Core-alpha           0.7722