[DFTB-Plus-User] Transport calculation issue in armchair nonoribbons

[Mujaffar Hossain]

Dear Sir,

I am trying to do tutorial for calculating the Charge Transport through
armchair nanoribbons which is given in the link-
http://www.dftbplus.org/fileadmin/DFTB-Plus/public/tutorials/cecamhp/html/transport.html.
The problem is when i was trying to run the code by typing the command "
dftb+ dftb_in.hsd | tee output.log" then it's showing error like this

WARNING!
-> The following 2 node(s) have been ignored by the parser:
(1)
Path: dftb_in/Transport
Line: 5-24 (File: dftb_in.hsd)
(2)
Path: dftb_in/Analysis/TunnelingAndDos
Line: 44-51 (File: dftb_in.hsd)

ERROR!
-> Code halting due to the presence of errors in dftb_in file.The
parameters used in .hsd file is given bellow

please help me how to solve this issue, i will be highly thank full if any
one suggest me to overcome this problems. Here i have write the parameters
for dftb_in.hsd file

Geometry = GenFormat {
<<< 'id.gen'
}

Transport {
    Device {
      AtomRange = 1 136
    }
    Contact {
      Id = "source"
      AtomRange = 137 272
      FermiLevel [eV] = -4.7103
      potential [eV] = 0.0
    }
    Contact {
      Id = "drain"
      AtomRange = 273 408
      FermiLevel [eV] = -4.7103
      potential [eV] = 0.0
    }
    Task = ContactHamiltonian{
     ContactId = "source"
    }
}

Hamiltonian = DFTB {
  SCC = No
  MaxAngularMomentum = {
    C = "p"
    H = "s"
  }

  SlaterKosterFiles = Type2FileNames {
    Prefix = "../../../../"
    Separator = "-"
    Suffix = ".skf"
  }

  Eigensolver = TransportOnly{}

}

Analysis = {
TunnelingAndDos {
  Verbosity = 101
  EnergyRange [eV] = -6.5  -3.0
  EnergyStep [eV] = 0.01
  Region = {
    Atoms = 1:136
  }
 }
}
please help me how to solve this issue, i will be highly thank full if any
one suggest me to overcome this problems.

Thank you

Hossain

IISER PUNE , INDIA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20170628/9b5a8ea4/attachment.htm>