Geometry = genFormat { 
    <<< MOF177.gen 
    } 
Driver = {} 
Hamiltonian = DFTB { 
    Eigensolver = DivideAndConquer { 
        } 
    Mixer = Broyden{} 
    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
        HHRepulsion = Yes
        }
    HCorrection = H5{}
    HubbardDerivs { 
        H = -0.1857  
        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 { 
        H = s 
        C = p 
        O = p 
        Zn = d 
        } 
    Filling = Fermi { 
        Temperature[Kelvin] = 0  
        } 
    SCC = Yes 
    SCCTolerance = 1.000E-10 
    MaxSCCIterations = 10000  
    ThirdOrderFull = Yes 
    }
Options { 
    WriteDetailedXML = Yes 
    WriteResultsTag = Yes 
    } 
Analysis { 
    CalculateForces = Yes 
    WriteEigenvectors = No 
    } 
ParserOptions { 
    IgnoreUnprocessedNodes = Yes 
    } 
Parallel { 
    UseOmpThreads = No 
    Groups = 1  
    } 

