Geometry = GenFormat {
          72 S
C H
1 1 -3.7979 -0.2582 -6.5783
2 1 -2.5319 0.2584 -5.8473
3 1 -2.5319 -0.2582 -4.3855
4 1 -3.7979 0.2584 -3.6545
5 2 -3.7979 -1.3798 -6.5783
6 2 -2.5319 1.3800 -5.8473
7 2 -2.5319 -1.3798 -4.3855
8 2 -3.7979 1.3800 -3.6545
9 1 -1.2659 -0.2582 -6.5783
10 1 0.0001 0.2584 -5.8473
11 1 0.0001 -0.2582 -4.3855
12 1 -1.2659 0.2584 -3.6545
13 2 -1.2659 -1.3798 -6.5783
14 2 0.0001 1.3800 -5.8473
15 2 0.0001 -1.3798 -4.3855
16 2 -1.2659 1.3800 -3.6545
17 1 1.2661 -0.2582 -6.5783
18 1 2.5321 0.2584 -5.8473
19 1 2.5321 -0.2582 -4.3855
20 1 1.2661 0.2584 -3.6545
21 2 1.2661 -1.3798 -6.5783
22 2 2.5321 1.3800 -5.8473
23 2 2.5321 -1.3798 -4.3855
24 2 1.2661 1.3800 -3.6545
25 1 -3.7979 -0.2582 -2.1927
26 1 -2.5319 0.2584 -1.4617
27 1 -2.5319 -0.2582 0.0001
28 1 -3.7979 0.2584 0.7310
29 2 -3.7979 -1.3798 -2.1927
30 2 -2.5319 1.3800 -1.4617
31 2 -2.5319 -1.3798 0.0001
32 2 -3.7979 1.3800 0.7310
33 1 -1.2659 -0.2582 -2.1927
34 1 0.0001 0.2584 -1.4617
35 1 0.0001 -0.2582 0.0001
36 1 -1.2659 0.2584 0.7310
37 2 -1.2659 -1.3798 -2.1927
38 2 0.0001 1.3800 -1.4617
39 2 0.0001 -1.3798 0.0001
40 2 -1.2659 1.3800 0.7310
41 1 1.2661 -0.2582 -2.1927
42 1 2.5321 0.2584 -1.4617
43 1 2.5321 -0.2582 0.0001
44 1 1.2661 0.2584 0.7310
45 2 1.2661 -1.3798 -2.1927
46 2 2.5321 1.3800 -1.4617
47 2 2.5321 -1.3798 0.0001
48 2 1.2661 1.3800 0.7310
49 1 -3.7979 -0.2582 2.1929
50 1 -2.5319 0.2584 2.9238
51 1 -2.5319 -0.2582 4.3857
52 1 -3.7979 0.2584 5.1166
53 2 -3.7979 -1.3798 2.1929
54 2 -2.5319 1.3800 2.9238
55 2 -2.5319 -1.3798 4.3857
56 2 -3.7979 1.3800 5.1166
57 1 -1.2659 -0.2582 2.1929
58 1 0.0001 0.2584 2.9238
59 1 0.0001 -0.2582 4.3857
60 1 -1.2659 0.2584 5.1166
61 2 -1.2659 -1.3798 2.1929
62 2 0.0001 1.3800 2.9238
63 2 0.0001 -1.3798 4.3857
64 2 -1.2659 1.3800 5.1166
65 1 1.2661 -0.2582 2.1929
66 1 2.5321 0.2584 2.9238
67 1 2.5321 -0.2582 4.3857
68 1 1.2661 0.2584 5.1166
69 2 1.2661 -1.3798 2.1929
70 2 2.5321 1.3800 2.9238
71 2 2.5321 -1.3798 4.3857
72 2 1.2661 1.3800 5.1166
0.0 0.0 0.0
7.5960000000000001 0.0 0.0
0.0 20.000000000000000 0.0
0.0 0.0 13.156727759999999
}
Driver = ConjugateGradient {
  MovedAtoms =  Range  { 1 -1 }
  MaxForceComponent [eV/AA] = 1.0e-2
  MaxSteps = 100
#  StepSize = 0.1
  OutputPrefix = "geo_end"
}
Hamiltonian = DFTB {
  SCC = Yes
  MaxAngularMomentum = {
    C = "p"
    H = "s"
#  Eigensolver =  Standard{}
  }
  SlaterKosterFiles = Type2FileNames {
    Prefix = "/home/aradi/research/slakos/skful/pbc-0-2/"
    Separator = "-"
    Suffix = ".skf"
  }
  KPointsAndWeights = SupercellFolding {
    2   0   0
    0   2   0
    0   0   2
    0.5 0.5 0.5
  }
  Eigensolver = Standard{}
}