[Pw_forum] bent system

[lan haiping]

Hi,  for periodic boudary code, the only possible way is to
build a large enough cell . It means that you can simulate
something  'periodic ' bent systems.

By the way, BigDFT in abinit community  can handle
with free boundary systems.

On Fri, Sep 19, 2008 at 12:37 AM, ali kazempoor <kazempoor2000 at yahoo.com>wrote:

> Dear all
>  Is there (in dft codes like espresso) any method like supercell method to
> simulate bent system like nanobelt(bent one dimensional system)?
> or it must be  used from  non-periodic condition (open boundary condition)?
> thanks
> Ali kazempour,Isfahan university of technology,Isfahan, Iran
>
>
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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