DFT calculation of a perfect Cu wire

[Jenny]

Hi, everyone. I tried to follow the tutorial of a perfect Al wire (https://www.quantumwise.com/documents/manuals/ATK-2008.10/chap.altranseigenchan.html)
And the same method was applied to calculate the optimum distance of a perfect Cu wire and the transmission spectrum of the wire. I've attached my script here.

I found that there are three states at Fermi level for a perfect Cu wire, which indicates that a perfect Cu chain is conductive at zero temperature. However, my professor argued that physically a perfect Cu wire should not be conductive at all because there are no electron sharing. So, was there anything wrong with my calculation? or a perfect Cu wire should be conductive as the result I got?

Thank you very much.

Jenny

[zh]

 Please show him the band structure of a perfect Cu wire, especially for the bands around the the Fermi level.   If there are bands across the Fermi level, the quantum conductance of Cu wire is non-zero and depends on the number of bands across the Fermi level. Your professor's argument may be wrong.

http://ermes.unt.edu/Tutorial_Proj.pdf
http://journals.aps.org/prb/references/10.1103/PhysRevB.70.045417
http://www.nature.com/nmat/journal/v8/n7/full/nmat2476.html