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Re: [abinit-forum] xred

From: Josef Zwanziger <jzwanzig@gmail.com>
To: "forum@abinit.org" <forum@abinit.org>
Subject: Re: [abinit-forum] xred
Date: Sat, 28 Nov 2009 06:24:03 -0500
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Well, xred is crystallographic data. From a .cif file, the space group number, Z, and the atom positions of the asymmetric unit (input as xred) will be enough for abinit to fill in the rest.

Sent from my iPod

On 2009-11-28, at 5:49, Sanjeev Kumar Gupta <skgupta.physics@gmail.com> wrote:

Dear Sir,

Can you tell me how I can obtain xred for any system? Is any scripts which can convert crystallographic data into abinit xred?

Thanks
Sanjeev GUPTA

--
S. K. Gupta
PhD Student,
Dept. of Physics, Bhavnagar University.
Bhavnagar, 364 022., Gujarat, India.

[abinit-forum] xred, Sanjeev Kumar Gupta, 11/28/2009
- Re: [abinit-forum] xred, Josef Zwanziger, 11/28/2009
  - Re: [abinit-forum] xred, Sanjeev Kumar Gupta, 11/28/2009
    - Re: [abinit-forum] xred, zahra hooshmand, 11/28/2009
    - Re: [abinit-forum] xred, Alain Jacques, 11/28/2009
    - Re: [abinit-forum] xred, Xenophon Krokidis, 11/28/2009
    - Re: [abinit-forum] xred, Josef Zwanziger, 11/28/2009