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[abinit-forum] Problem, structure optimization of cdse

From: "J. J. Ramsey" <jjr19@uakron.edu>
To: forum@abinit.org
Subject: [abinit-forum] Problem, structure optimization of cdse
Date: Fri, 1 Aug 2008 07:05:21 -0700 (PDT)

> From: "pratik_8mar@yahoo.com"
> To: forum@abinit.org
> Sent: Saturday, July 26, 2008 8:19:03 AM
> Subject: [abinit-forum] Problem, structure optimization of cdse
>
> Dear ABINIT users
>
> I am trying to optimize the disance between Cd and Se atmos in a big box.
> but
> some how I am not able to reach to the minimum energy structure.

Why are you putting Cd and Se in a big box rather than arranging them in a
wurzite structure?

[abinit-forum] Problem, structure optimization of cdse, J. J. Ramsey, 08/01/2008
- <Possible follow-up(s)>
- Re: [abinit-forum] Problem, structure optimization of cdse, pratik dhuvad, 08/01/2008
- Re: [abinit-forum] Problem, structure optimization of cdse, J. J. Ramsey, 08/01/2008