[DFTB-Plus-User] error in the lattice vectors while optimization using scc-dftb

[KHUSHBOO cy21d042]

Dear DFTB+ users,

I am trying to optimize a system containing 10 molecules of dimethyl
ether (built with packmol) using SCC-DFTB and specifying lattice
vectors for the xyz format. I am getting errors for the lattice
vectors, max force component. This is the input file I am using:

Geometry = xyzFormat {
<<< "geom.xyz"
LatticeVectors = {
  20.000000 0.000000 0.000000
  0.000000 20.000000 0.000000
  0.000000 0.000000 20.000000
 }
}

Driver = GeometryOptimization {
  Optimizer = Rational {}
  MovedAtoms = 1:-1
  MaxForceComponent = 1E-4
  MaxSteps = -1
  OutputPrefix = "geom.out"
  AppendGeometries = Yes
 #ConvergentForcesOnly = Yes
}

Hamiltonian = DFTB {
  Charge = 0.0000000
  ReadInitialCharges = No
  SCC = Yes
  SlaterKosterFiles = Type2FileNames {
  Prefix = "/home/khushboo/Downloads/mio-1-1/"
  Separator = "-"
  Suffix = ".skf"
  }
  MaxAngularMomentum {
    C = "p"
    H = "s"
    O = "p"
   }
}

Options = {
  WriteDetailedOut = Yes
  WriteAutotestTag = No
}
Analysis {
  CalculateForces = Yes
}

ParserOptions {
  ParserVersion = 8
  WriteHSDInput = Yes
}

Could you help me to resolve the optimization error?
Thank you
Khushboo
Research Scholar
Department of Chemistry, IIT Madras.
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