[Pw_forum] About (7,3) nanowire coordinates
stewart at cnf.cornell.edu
stewart at cnf.cornell.edu
Wed Jan 31 15:28:00 CET 2007
Hi Arijit,
The coordinates for the (7,3) Au nanowire are available on the Science
website. Check under the supplemental data for the paper. This provides
the positions in a_0 units as well as the forces on each atom. If you are
unable to access this, let me know and I'll send them your way.
Best regards,
Derek
A Sen writes:
> Dear All,
>
> I would like to generate all of the 85 coordinates of the (7,3) Au chiral
>
> nanowire using PWScf, which has already been done a long ago by
>
> Dr. Andrea (Ref. Science, v291,pp290,2001). I would greatly
>
> appreciate if you could please provide me the input file for this. What would be
>
> the input file for the (6,0) nanowire as well?
>
> With best regards,
>
> Arijit
################################
Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856
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