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- From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] optical properties of molecule
- Date: Mon, 27 Aug 2007 08:04:06 +0200
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Hi,
It depends on what you mean by suitable:
-Abinit is able to do optical calculation for molecules. And with it
you can get very accurate results.
-However Abinit is a plane-wave code. That is you will not deal
efficiently with vacuum and your system are going to be periodical.
For those reasons doing big molecules with Abinit will cost you a lot
in term of CPU.
Best,
PMA
On 8/25/07, farah marsusi <fmarsusi@yahoo.com> wrote:
> Hi every one
> Is abinit suitable for computing optical proprties of big molecules?
>
> ________________________________
> Boardwalk for $500? In 2007? Ha!
> Play Monopoly Here and Now (it's updated for today's economy) at Yahoo!
> Games.
>
>
--
Pierre-Matthieu Anglade
- optical properties of molecule, farah marsusi, 08/25/2007
- Re: [abinit-forum] optical properties of molecule, Anglade Pierre-Matthieu, 08/27/2007
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