eigenval

已经编译好的levoo程序

    2    2    1    1
  0.9261000E+01  0.2969848E-09  0.2969848E-09  0.2969848E-09  0.5000000E-16
   1.0000000000000000E-004
  CAR 
 H2O molecule                            
    8    8    8

  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1562500E-01
   1      -12.7706
   2        4.4935
   3        4.4935
   4        4.4935
   5        9.3658
   6       20.3830
   7       20.3830
   8       20.3830

  0.0000000E+00  0.0000000E+00  0.2500000E+00  0.1250000E+00
   1      -12.1510
   2        1.8321
   3        4.1503
   4        4.1503
   5       11.6991
   6       17.1509
   7       21.2273
   8       24.8751

  0.2500000E+00  0.0000000E+00  0.2500000E+00  0.9375000E-01
   1      -11.9827
   2        1.8620
   3        3.7516
   4        3.7516
   5       12.6759
   6       15.7307
   7       20.0372
   8       22.0536

  0.0000000E+00  0.0000000E+00  0.5000000E+00  0.6250000E-01
   1      -11.4143
   2       -0.1523
   3        3.8354
   4        3.8354
   5       12.4876
   6       17.1879
   7       20.8635
   8       20.8635

  0.2500000E+00  0.2500000E+00  0.5000000E+00  0.1875000E+00
   1      -11.4958
   2        0.9827
   3        2.4853
   4        3.8359
   5       14.0775
   6       16.3701
   7       18.5566
   8       22.0873

  0.2500000E+00  0.0000000E+00  0.5000000E+00  0.3750000E+00
   1      -11.2975
   2        0.6600
   3        2.5685
   4        3.4683
   5       14.2761
   6       16.1495
   7       17.8404
   8       22.2236

  0.0000000E+00  0.5000000E+00  0.5000000E+00  0.4687500E-01
   1      -11.1587
   2        0.3937
   3        3.1366
   4        3.1366
   5       13.6766
   6       14.5171
   7       17.6927
   8       23.5651

  0.2500000E+00  0.5000000E+00  0.7500000E+00  0.9375000E-01
   1      -11.0991
   2        1.5249
   3        1.5249
   4        2.7128
   5       16.2293
   6       16.2293
   7       16.6957
   8       20.1112