[Pw_forum] cu/semiconducting system

[chengyu yang]

Hey.I guess we come from the same university. Maybe we could contact each
other privately.

Btw, I checked the archives, and Dr. Nicola said, there's no difference
between metallic and semiconductor carbon nanotubes in the term of charge
density.

Thanks.

Chengyu



2010/8/27 Duy Le <ttduyle at gmail.com>

> what's wrong? why don't you use non-zero gaussian spreading?
> The purpose of using smearing is to avoid a step function at Fermi
> level. If the system is metallic, gaussian spreading must be non-zero.
> If it is not metallic, a non-zero gaussion spreading won't harm your
> calculation.
> --------------------------------------------------
> Duy Le
> PhD Student
> Department of Physics
> University of Central Florida.
>
> "Men don't need hand to do things"
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100827/eecd4913/attachment.html>