Re: [SIESTA-L] How can I make a crystal geometry file?

2009-07-27 Thread Gleb Ganeline
You can use matlab to generate the matrix with atom coordinates. Look
up the crystalline structure and the bond lengths for Au online, and
then figure out the code on your own. You can also look up the code in
matlab database online (I don't know the link. sorry, but you can
google it).

On Fri, Jul 24, 2009 at 1:27 AM, Reza Kalantarirkalant...@aut.ac.ir wrote:
 Dear All Siesta Users

 Hello,

 I need to make geometry and bonding file for a crystal (for example Au) but
 I don't know which software or code can do it. There is a commericial
 software but it is too expansive.

 What can I do?

 Thank you very much for your attentions.

 Best Regrads
 Reza Kalantari-Nezhad
 PhD. Student
 AmirKabir University of Technology
 Home: +98-21-77465193
 Mobile: +98-912-7633204
 Mobile: +98-935-2578543



[SIESTA-L] How can I make a crystal geometry file?

2009-07-24 Thread Reza Kalantari
Dear All Siesta Users

Hello,
I need to make geometry and bonding file for a crystal (for example Au) but I 
don't know which software or code can do it. There is a commericial software 
but it is too expansive. 
What can I do?
Thank you very much for your attentions.  

Best Regrads 
Reza Kalantari-Nezhad 
PhD. Student 
AmirKabir University of Technology 
Home: +98-21-77465193 
Mobile: +98-912-7633204
Mobile: +98-935-2578543