[DFTB-Plus-User] DOS question

[Mani Farjam]

Dear Max,

See DFTB+ recipes, Chapter 3, and the manual. Briefly, you have to add
the following to your input file:

Analysis {
  ProjectStates {
    Region {
      Atoms = 1:10  # C atoms of first nanotube
    }
  }
}

and similarly for the second nanotube.

Best,

Mani Farjam

Dear list,

I'm using the DFTB+ code to calculate properties of carbon nanotubes. In
my system two carbon nanotubes are present, and I would like to know if
it is possible to plot the PDOS of the two nanotubes separately: plot
the C(s) of the first nanotube, and the C(s) of the second nanotube.

Kind regards,

-- 
Max Ramirez G.
<max.ramirez at gmail.com>

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