Geometry = genFormat {
29 S
O Zn C
1 3 5.558 5.558 9.19293
2 3 9.19293 5.558 5.558
3 3 5.558 9.19293 5.558
4 3 5.558 5.558 1.92307
5 3 1.92307 5.558 5.558
6 3 5.558 1.92307 5.558
7 3 5.558 5.558 10.63579
8 3 10.63579 5.558 5.558
9 3 5.558 10.63579 5.558
10 3 5.558 5.558 0.48021
11 3 0.48021 5.558 5.558
12 3 5.558 0.48021 5.558
13 1 4.75098 4.75098 8.63936
14 1 8.63936 4.75098 4.75098
15 1 4.75098 8.63936 4.75098
16 1 6.36502 4.75098 2.47664
17 1 6.36502 8.63936 6.36502
18 1 2.47664 4.75098 6.36502
19 1 4.75098 6.36502 2.47664
20 1 8.63936 6.36502 6.36502
21 1 4.75098 2.47664 6.36502
22 1 6.36502 6.36502 8.63936
23 1 6.36502 2.47664 4.75098
24 1 2.47664 6.36502 4.75098
25 1 5.558 5.558 5.558
26 2 4.40416 4.40416 6.71184
27 2 6.71184 4.40416 4.40416
28 2 4.40416 6.71184 4.40416
29 2 6.71184 6.71184 6.71184
0.0 0.0 0.0
11.116 0.0 0.0
0.0 11.116 0.0
0.0 0.0 11.116
}
Driver = {}
Hamiltonian = DFTB {
  Eigensolver = DivideAndConquer {}
  Mixer = Broyden {
    MixingParameter = 0.20000000000000001
    InverseJacobiWeight = 1.0000000000000000E-002
    MinimalWeight = 1.0000000000000000
    MaximalWeight = 100000.00000000000
    WeightFactor = 1.0000000000000000E-002
  }
  SpinPolarisation = {}
  KPointsAndWeights = SuperCellFolding {
1   0   0
0   1   0
0   0   1
0.0 0.0 0.0
  }
  Dispersion = DftD3 {
    Damping = ZeroDamping {
      sr6 = 1.25
      alpha6 = 29.61
    }
    s6 = 1.0
    s8 = 0.49
    cutoff = 94.868329805051374
    cutoffcn = 40.000000000000000
    threebody = No
    hhrepulsion = No
  }
  HubbardDerivs = {
    C = -0.1492
    O = -0.1575
    Zn = -0.0300
  }
  SlaterKosterfiles = Type2FileNames {
    Prefix = /home/mtolladay/pkgs/slako/3ob/3ob-3-1/
    Separator = -
    Suffix = .skf
    LowerCaseTypeName = No
  }
  MaxAngularMomentum = {
    C = p
    O = p
    Zn = d
  }
  Filling = Fermi {
    Temperature [Kelvin] = 0
    IndependentKFilling = No
  }
  SCC = Yes
  SCCTolerance = 1.000E-10
  MaxSCCIterations = 10000
  ThirdOrderFull = Yes
  PolynomialRepulsive = {}
  OrbitalResolvedSCC = No
  OldSKInterpolation = No
  ReadInitialCharges = No
  InitialCharges = {}
  EwaldParameter = 0.0000000000000000
  EwaldTolerance = 1.0000000000000001E-009
  HCorrection = None {}
  ElectricField = {}
  Charge = 0.0000000000000000
  ThirdOrder = No
  Differentiation = FiniteDiff {
    Delta = 1.2207031250000000E-004
  }
  ForceEvaluation = "Traditional"
}
Options = {
  WriteDetailedXML = Yes
  WriteResultsTag = Yes
  WriteDetailedOut = Yes
  WriteAutotestTag = No
  RestartFrequency = 20
  RandomSeed = 0
  WriteHS = No
  WriteRealHS = No
  MinimiseMemoryUsage = No
  ShowFoldedCoords = No
  TimingVerbosity = 0
  WriteChargesAsText = No
}
Analysis = {
  CalculateForces = Yes
  WriteEigenvectors = No
  ProjectStates = {}
  MullikenAnalysis = Yes
  AtomResolvedEnergies = No
  WriteBandOut = Yes
}
ParserOptions = {
  IgnoreUnprocessedNodes = Yes
  ParserVersion = 6
  WriteHSDInput = Yes
  WriteXMLInput = No
  StopAfterParsing = No
}
Parallel = {
  UseOmpThreads = No
  Groups = 1
  Blacs = BlockSize {
32
  }
}
ExcitedState = {}
