[DFTB-Plus-User] Issue concerning WriteDetailedXml

[Théo Giverne]

Dear users,

I’m new to DFTB+ and I am following the recipes of the user’s guide. When i run the run.sh of simply the dfb+ command for the defect levels <https://dftbplus-recipes.readthedocs.io/en/latest/defect/carbon2d-elec.html#defect-levels> DFTB does not write the detailed.xml file although in the option section of the dftb_in.hsd file, it is written to be write. When i try the same for waveplot in basic usage <https://dftbplus-recipes.readthedocs.io/en/latest/basics/waveplot.html#making-a-dftb-calculation> there is no problem, DFTB write de detailed.xml file. 
I should add that both the detailed.out and the eigenvec.bin are written by DFTB.
Finally i have this waring at the end of my calculations : "Note: The following floating-point exceptions are signalling: IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG"

Someone has a solution ? I have tried changing the parser version but didn’t change anything.

Here is my dftb_in.hsd file :

************************************************************************************************
# Example input to calculate the eigenstates for one of the defective
# armchair ribbons, using the self-consistent charges calculated in
# the previous DOS example

Geometry = GenFormat {
  # take the structure from the directory where the DOS was calculated
  <<< "geo.gen"
}

Hamiltonian = DFTB {

  # Self-consistent
  SCC = Yes

  # To generate wavefunctions at the gamma point only using an
  # existing charges.bin set of data
  ReadInitialCharges = Yes
  MaxSCCIterations = 1
  KPointsAndWeights {
    0.0  0.0  0.0   1.0
  }

  # Atomic states on the atoms
  MaxAngularMomentum {
    C = "p"
    H = "s"
  }

  # Reading the parameters for the calculation
  SlaterKosterFiles = Type2FileNames {
    Prefix = "../../slako/"
    Separator = "-"
    Suffix = ".skf"
  }
}

Options {
  WriteDetailedXml = Yes
  WriteDetailedOut = Yes
}

Analysis {
  WriteEigenvectors = Yes
}

ParserOptions {
  ParserVersion = 7
}
************************************************************************************************

Sincerely,

Théo Giverne
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