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 Kalantari 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