[Pw_forum] cu/semiconducting system

chengyu yang chengyu.young at gmail.com
Fri Aug 27 21:53:04 CEST 2010

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



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"
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