Projected Hamiltonian Energy Spectrum

[yangzw1985]

Hi, everyone!

Now, I have performed a Projected Hamiltonian Energy Spectrum calculation on my model, and it just projected in molecule atoms. And it should be noted that it may not a molecule, it is a wire. Followed is the results.

 Total Charge =  615.86720
#-------------------------------------------------------------------------------
# -----------------------------------------------------------------------------
# Energy Spectrum
# -----------------------------------------------------------------------------
# Energy (eV)
       -20.10
       -19.67
       -19.07
       -18.78
            -17.29
       -17.28
       -17.26
       -16.75
          -15.81
       -15.58
       -15.50
       -15.34
       -15.32
       -15.06
       -15.03
           -13.99
       -13.98
       -13.94
       -13.89
       -13.73
       -13.48
             -8.93
        -8.79
        -8.75
        -8.75
        -8.60
        -8.59
            -7.43
        -7.40
        -7.36
        -7.35
        -7.34
        -7.34
        -7.19
             -5.03
        -5.03
        -4.96
        -4.91
             -4.64
      -2.95
        -2.88
        -2.85
        -2.76
        -2.62
        -2.56
        -2.43
        -1.44
        -1.27
        -0.41
         4.14
         4.43
         4.46
         4.59
         4.82
         4.97
         5.03
         5.04
             9.27
         9.28
         9.34
         9.34
         9.39
         9.41
            19.12
        19.20
        19.20
        19.29
        19.31
            39.59
        39.66
        39.68
        39.83
          66.56
        66.72
        66.73
        66.80
        66.89
            83.25
        83.45
        83.71
        83.86
Terminated Normally
Run finished at  Tue Jan 01 17:24:22 2008!

Attached is the exported Figure.

As we can see from the calculated results, it just contains the energy from -21.0--83.86.  Can anyone tell me how to draw this picture in origin?
Thanks!

[zh]

Create a text file with two columns of data, for example,
#1st column    2st column
  1.0              1st MPSH value
  1.2              1st MPSH value
  1.3              1st MPSH value
  blank line
  1.0             2nd MPSH value
  1.2              2nd MPSH value
  1.3             2nd MPSH value
 blank line
  1.0             3-rd MPSH value
  1.2             3-rd MPSH value
  1.3             3-rd MPSH value
 blank line
.....
  1.0             n-th MPSH value
  1.2             n-th MPSH value
  1.3             n-th MPSH value
              

[yangzw1985]

Hi,zh! thank you! Now, I have followed you suggestion and got a picture. Followed is the data for the picture:
1   -2.88
1   -2.85
1   -2.76
1   -2.62
1   -2.56
1   -2.43
1   -1.44
1   -1.27
1   -0.41
1   4.14
1   4.43
1   4.46
1   4.59
1   4.82
1   4.97
    
2   -2.88
2   -2.85
2   -2.76
2   -2.62
2   -2.56
2   -2.43
2   -1.44
2   -1.27
2   -0.41
2   4.14
2   4.43
2   4.46
2   4.59
2   4.82
2   4.97

As we can see, the two point for 1 and 2 at the same energy is not linked with a line, how to achieve it?Now, I can draw a line between the two points manually, however, I think it shoud have a more convenient way to do draw the picture.

Thanks in advance!

[yangzw1985]

The right picture can not be achieved. The black was generated automatically and the red line was drawed manually.

the data as follows:
1   -2.56
1   -2.43
1   -1.44
1   -1.27
1   -0.41
1   4.14
1   4.43
1   4.46
1   4.59
   --
1.2   -2.56
1.2   -2.43
1.2   -1.44
1.2   -1.27
1.2   -0.41
1.2   4.14
1.2   4.43
1.2   4.46
1.2   4.59
   --
1.4   -2.56
1.4   -2.43
1.4   -1.44
1.4   -1.27
1.4   -0.41
1.4   4.14
1.4   4.43
1.4   4.46
1.4   4.59
   --
1.6   -2.56
1.6   -2.43
1.6   -1.44
1.6   -1.27
1.6   -0.41
1.6   4.14
1.6   4.43
1.6   4.46
1.6   4.59
   --
1.8   -2.56
1.8   -2.43
1.8   -1.44
1.8   -1.27
1.8   -0.41
1.8   4.14
1.8   4.43
1.8   4.46
1.8   4.59
   --
2   -2.56
2   -2.43
2   -1.44
2   -1.27
2   -0.41
2   4.14
2   4.43
2   4.46
2   4.59

[zh]

Try the following format for the MPSH data:
1.0  2.56
1.2  2.56
1.3  2.56

1.0  2.60
1.2  2.60
1.3  2.60

1.0  3.00
1.2  3.00
1.3  3.00
..............

The data in 2nd column are listed for the MPSH values. 

[yangzw1985]

Thank you, ZH! This time, you are right. Well done!