[DFTB-Plus-User] DFTB+ stopped with no errors

[Riccardo Petraglia]

Hello,
I am running MD using DFTB+ to get the forces. Sometimes it stops 
working with no apparent reasons. Apparently the structure is fine and, 
if I had probelms in the structure I would expect DFTB does not 
converge, but it stops after the first SCF iteration with no errors... 
If I use a different structure it works... but I don't really understand 
the reason... could someone help me?

Thank you
Riccardo P.
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Geometry = GenFormat { 
    <<< "geo_end.gen" 
} 
 
Driver = ConjugateGradient{ 
   MaxForceComponent = 1E-4 
   MaxSteps = 0 
   } 
Hamiltonian = DFTB{ 
   Charge = 0.0 
   DampXH = Yes 
   DampXHExponent = 4.0 
   HubbardDerivs = { 
      C = -0.1492 
      H = -0.1857 
      N = -0.1535 
      O = -0.1575 
      S = -0.11 
   } 
   MaxAngularMomentum = { 
      C = "p" 
      H = "s" 
      N = "p" 
      O = "p" 
      S = "d" 
   } 
   SCC = Yes 
   SlaterKosterFiles = Type2FileNames{ 
      Prefix = /home/petragli/Store/SK-parameters/3ob-1-1/ 
      Separator = "-" 
      Suffix = ".skf" 
   } 
   ThirdOrderFull = Yes 
} 
Options { 
   WriteResultsTag = Yes  
} 
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