Pt
プラチナ（白金） Platinum

Z=78 原子量=195.1
fcc a= 3.9231 A
a= 7.41358662 a.u.
Xe + 5d^9 6s^1
para. 
                                                                    
fccPt
F   LATTICE,NONEQUIV. ATOMS: 1
MODE OF CALC=RELA
  7.584247  7.584247  7.584247 90.000000 90.000000 90.000000
ATOM=  1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Pt         NPT=  781  R0=0.00000500 RMT=    2.6000   Z: 78.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  48      NUMBER OF SYMMETRY OPERATIONS
Experimental
lattice constant = a= 7.41358662 (a.u.) ri=2.6210986860
unit cell volume = 101.8650276196

Theoretical
lattice constant = a= 7.584247 (a.u.) ri=2.6814362419
unit cell volume = 109.0629935576

Total Energy = -36893.951343 Ry　
[figure]

[Band (FLAPW+LDF+GGA)] by WIEN97code(P.Blaha, K.Schwarz, J.Luitz 1999)
a= 7.584247 (a.u.), Ef= 0.69072, D(Ef)= 32.1885
band

[DOS]

Fe3Pt