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Re: [abinit-forum] Surface states calculation by abinit?

From: Anglade Pierre-Matthieu <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Surface states calculation by abinit?
Date: Fri, 5 Jun 2009 08:07:59 +0200
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Hi,

I guess the straight forward way to compute surface states is to
figure out the geometric configuration, put the atoms by hand and then
to relax your atomic positions.

regards

PMA

2009/6/1 Flamingo Chu <zhuxg02@hotmail.com>:
> Dear all,
>        I want to calculate the surface states of some materials.
> I know how to do bulk band structure calculation.I can
> construct a slab model to simulate the surface, but I have no
> idea how to calculate the surface states. Is there any manual on
> surface states calculation using abinit or some standard procedure
> to do this?
>        All of your kind suggestion will be greatly appreciated.
>        Best regards.
>
> Flamingo Chu
>
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--
Pierre-Matthieu Anglade

[abinit-forum] Surface states calculation by abinit?, Flamingo Chu, 06/01/2009
- Re: [abinit-forum] Surface states calculation by abinit?, Anglade Pierre-Matthieu, 06/05/2009
  - Re: Re: [abinit-forum] Surface states calculation by abinit?, Zhenhua Zeng, 06/05/2009
    - Re: Re: [abinit-forum] Surface states calculation by abinit?, matthieu verstraete, 06/05/2009
      - Re: [abinit-forum] Surface states calculation by abinit?, Bernard Amadon, 06/05/2009