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BAnd Dispersion of (3,0) carbon nanotube
Date: 2007/05/21 00:22
Name: Jooya   <h_zolfaghari2001@yahoo.com>

Dear all,

I am trying to calculate the Band Dispersion of a (3,0) nanotube with 2 unite cell (i.e. 24 Carbon atoms).
The problem is that I just get some parallel energy lines in the final plot!
I am confused how to set the following inputs to get the band dispersion correctly:

<Atoms. UnitVectors>
<Band.KPath.UnitCell>
Band.Nkpath
<Band.kpath>

Thank you very much in advance for your kind help.
H.Z.Jooya
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Re: BAnd Dispersion of (3,0) carbon nanotube ( No.1 )
Date: 2007/05/25 09:46
Name: T.Ozaki

Hi,

Please calculate the band dispersion along the reciprocal vector corresponding
to the long axis of CNT.

Regards,

TO
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