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Re: [abinit-forum] Charged electrode and molecules

From: "lan haiping" <lanhaiping@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Charged electrode and molecules
Date: Tue, 26 Sep 2006 21:57:24 +0800
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hi, Gerardo,

If you wanna use pp-planewave method for conductance calculation,

you can try Quantum Epresso, which is also free.

Regards,

hai-ping

On 9/26/06, g_glez@yahoo.com <g_glez@yahoo.com> wrote:

Hi, folks!

have somebody used ABINIT to calculate the behaviour of a molecule on a
charged slab?

How can be made with ABINIT? There are problems mixing periodical basis
(for the slab) and atomic basis (for the molecule)?

Thanks in advance!

Gerardo González
Ph.D. student
University of Aveiro

Charged electrode and molecules, g_glez, 09/26/2006
- Re: [abinit-forum] Charged electrode and molecules, Anglade Pierre-Matthieu, 09/26/2006
- Re: [abinit-forum] Charged electrode and molecules, Andrew M. Rappe, 09/26/2006
- Re: [abinit-forum] Charged electrode and molecules, lan haiping, 09/26/2006