[Pw_forum] carbon nanotube & copper chain

[xirainbow]

Dear Yang：

On Fri, Jun 18, 2010 at 9:39 AM, chengyu yang <chengyu.young at gmail.com>wrote:

> Dear Wang,
>      1,  I don't know where to find the Cu.pz-vbc.UPF, I just download the
> pseudo from the web, in which no Cu's norm pseudopotential at all.
>
You can choose C.pz-rrkjus.UPF and Cu.pz-d-rrkjus.UPF.

     2, what do you mean by 1 1 X? There are only 3 parameters for K points?
> I am new to quantum espresso, and really don't know how to choose the right
> k points.  Thank you.
>
>
You can find wonderful explanation about the meaning of kpoints in 《*Solid
and Surface*: A Chemist's View of Bonding in Extended Structure 》*Roald
Hoffmann. And there is a chinese version.*

____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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