以下のファイルは、入力デ−タの一例です。（ＳｉＯ４クラスター）詳しい内容については、
ＤＶ−Ｘαプログラムのマニュアルをご覧ください。

−−−−−−−−−−−−−−−−−−−−−−−−−−−−−ここから

    8
  MOLECULAR CALCULATION OF *****           3.50000  -1.00000    1
SCCSQGRN     10  300 2000    099999    0    0   -3    0    0.1000000000D-05
    5    2    8    5    2    0
    1  8.0    1  8.0    1  8.0    1  8.0    2 14.0
  50.00000    0    0   0.00000    0    0   0.00000    0    0   0.00000
    0
 O HFS ATOM CALC.                       
    1  300    3
   8.00000   0.70000  20.00000  32.00000   0.00000   0.00000
  1.0  0.0        -19.72000     2.00004
  2.0  0.0         -1.07000     1.96002
  2.0  1.0         -0.52000     5.77290
000
 SI HFS ATOM CALC.                      
    2  300    5
  14.00000   0.70000  20.00000  32.00000   0.00000   0.00000
  1.0  0.0        -67.00000     1.99998
  2.0  0.0         -5.50000     1.99834
  2.0  1.0         -3.90000     5.99773
  3.0  0.0         -0.40000     0.17068
  3.0  1.0         -0.20000     0.90143
00000
    9
    1    1    1    1    1    1    1    1    1
    1    2    0    3    0    0    3    0    0
    0.1767000000D+01    0.1767000000D+01    0.1000000000D+00    1
    0.1767000000D+01   -0.1767000000D+01   -0.1767000000D+01    1
   -0.1767000000D+01    0.1767000000D+01   -0.1767000000D+01    1
   -0.1767000000D+01   -0.1767000000D+01    0.1767000000D+01    1
    0.0000000000D+00    0.0000000000D+00    0.0000000000D+00    2
    0.7000000000D+00
    0.0000000000D+00    0.0000000000D+00    0.0000000000D+00
    0.1939976906D+00    0.1000000000D+01    0.1500000000D+01
    0.3879953811D+00    0.1000000000D+01    0.1500000000D+01
    0.5819930717D+00    0.1000000000D+01    0.1500000000D+01
    0.7759907623D+00    0.1000000000D+01    0.1500000000D+01
    0.1000000000D+01    0.1000000000D+01    0.2500000000D+01
    1    1
    3  100
   0.00000   3.50000  -1.00000   0.00000   0.00000
  1.0  0.0        -19.72000     2.00004
  2.0  0.0         -1.07000     1.96002
  2.0  1.0         -0.52000     5.77290
    5  100
   0.00000   3.50000  -1.00000   0.00000   0.00000
  1.0  0.0        -67.00000     1.99998
  2.0  0.0         -5.50000     1.99834
  2.0  1.0         -3.90000     5.99773
  3.0  0.0         -0.40000     0.17068
  3.0  1.0         -0.20000     0.90143
WELLSCCS            
 5000   0.3000000   0.0000000   0.0000000   0.0000000
    0    2    0    0
AAAASCCS            
 5000   0.3000000   0.0000000   0.0000000   0.0000000
    2    2    2    2

−−−−−−−−−−−−−−−−−−−−−−−−ここまで