15.09 SIC Code - Carbon Atom FOD Optimization

FOD optimization of a carbon atom. The geometry is taken from CMU compare directory.

Carbon atom




1509
Perfect
No. SCFs E F E F
1 -37.949706436039 5.99E-02 -37.949732226438 5.98E-02
2 -37.951523634177 3.67E-02 -37.951545400556 3.66E-02
3 -37.953166878574 1.92E-02 -37.953185688536 1.92E-02
4 -37.952174153207 5.03E-02 -37.952198031727 5.01E-02
5 -37.953433742657 1.83E-02 -37.9534517531 1.82E-02
6 -37.953495888744 1.91E-02 -37.9535137612 1.90E-02
7 -37.95349845351 1.94E-02 -37.953516414401 1.94E-02
8 -37.953498459442 1.95E-02 -37.953516429632 1.94E-02
9 -37.954207630253 1.59E-02 -37.954223549658 1.59E-02
10 -37.955259057871 1.08E-02 -37.95527049341 1.07E-02
11 -37.955828717475 1.72E-02 -37.955825922823 1.74E-02
12 -37.95593219311 1.04E-02 -37.955934523638 1.03E-02
13 -37.955932362556 1.10E-02 -37.955934717736 1.10E-02
14 -37.955932314093 1.10E-02 -37.955934670806 1.10E-02
15 -37.956252689149 4.53E-03 -37.956254325451 4.53E-03
16 -37.956288133902 5.66E-03 -37.956290690082 5.64E-03
17 -37.956351258298 3.51E-03 -37.956353195149 3.50E-03
18 -37.956351267283 3.58E-03 -37.956353203689 3.58E-03
19 -37.956351265048 3.58E-03 -37.956353201762 3.58E-03
20 -37.956366673007 4.65E-03 -37.956368986247 4.64E-03
21 -37.956400295036 1.29E-03 -37.956402648846 1.29E-03
22 -37.956400898511 1.39E-03 -37.956403245993 1.39E-03
23 -37.956400895213 1.40E-03 -37.956403242629 1.40E-03
24 -37.956434517876 1.06E-03 -37.956436823601 1.06E-03
25 -37.956407820609 3.26E-03 -37.956410392267 3.25E-03
26 -37.956439921224 1.48E-03 -37.956442256897 1.48E-03
27 -37.956439921449 1.48E-03 -37.956442257116 1.48E-03
28 -37.956467787528 7.90E-04 -37.956470051929 7.92E-04
29 -37.956435837502 2.10E-03 -37.956437111921 2.11E-03
30 -37.956470558742 8.76E-04

31 -37.956470559151 8.81E-04

32 -37.956444303438 3.73E-03

33 -37.956475052643 6.71E-04

34 -37.956475073838 7.26E-04

35 -37.956427356192 3.49E-03

36 -37.956476917088 2.04E-04

37 -37.956476932412 1.78E-04

38 -37.956455255467 2.16E-03

39 -37.956477647927 2.67E-04

40 -37.956477651292 2.80E-04

41 -37.956424435324 4.08E-03

42 -37.956478625017 3.99E-04

43 -37.956478629683 4.23E-04

44 -37.95647520061 3.16E-03

45 -37.956481257244 9.77E-04

46 -37.956481317597 1.10E-03

47 -37.956499815545 2.45E-03

48 -37.956544602322 5.12E-03

49 -37.956544398907 5.05E-03

50 -37.956544501472 5.08E-03