[Wien] About (7,3) chiral nanowire

[Ruben Weht]

Dear Sen,

Some time ago I did some calculations on those chiral nanowires,
in particular those made by Au and Pt.
I think the system is too big for Wien2k, it has 85 different atoms
and no symmetries (my calculations were done with a tight 
binding code). 
I have included a xyz file with the positions of the atoms.
It is for Pt, you have to scale it for Au.
Positions are in Ansgtroms.

Best regards,

                      Ruben

> Dear Wien users,
>                 If I want to generate the coordinates of a
>                 triangular
> lattice for a (7,3) chiral Au nanowire to find the energy
> stability using WIEN2K, how should I proceed? I would
> greatly appreciate if you could please help me out in
> letting me know of the 1D version of the WIEN2K code.
> Best regards,
> Sen
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> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien


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|  Ruben Weht                                   |
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