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Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?

From: "Rain man" <hydeng2007@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?
Date: Mon, 23 Jul 2007 13:48:01 +0800
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Dear PMA,

The a, b and c are 3.6, 20.2 and 12.9 respectively for my end-centered orthorhombic lattice (space group 36). Can you further give me suggestion?

Thanks for your kind response!

Rain man

2007/7/22, Anglade Pierre-Matthieu <anglade@gmail.com>:

Hi Rain Man (:-)

What are the values of acell you use ?
From the rprim I think you may actually give a BCorthorombic. However, I think, it depends on the chosen value for acell. Are you sure you have a/=b/=c ?

Regards

PMA

On 7/22/07, asubedi < asubedi@gmail.com> wrote:
This is probably a case where you should look at the input parameters
chkprim and brvlatt.

--
Pierre-Matthieu Anglade

How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, Rain man, 07/22/2007
- Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, asubedi, 07/22/2007
  - Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, Anglade Pierre-Matthieu, 07/22/2007
    - Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, Rain man, 07/23/2007