Dear Zahra Talebi

You can directly load an visualize any fdf using "deneb", it is a new software 
for windows and linux that 
you can freely download from the webpage of atelgraphics, they have also some 
demonstration videos 
in their youtube channel (search for "atelgraphics" in youtube).

It works fine for me so far (i am using the windows version). I use it to 
visualize any fdf even to edit them. 

You can also visualize the "movie" contained in the .ANI files resulting from a 
SIESTA Molecular dynamics 
(I think there was some recent question in this list about that.)

Walter 

===
...

________________________________
 De: Khan Muhammad <[email protected]>
Para: Zahra Talebi   <[email protected]>; siesta home  <[email protected]> 
Enviado: Viernes 30 de noviembre de 2012 6:25
Asunto: RE: Re: [SIESTA-L] seeing structure
 

 


There is a python script  "geom2geom"  provided with Inelastica package, that 
can be used to convert the structure from fdf to xyz format before running your 
calculation. Which can be seen by using any type of visualization tool e.g. 
xcrysden, vesta, xmakemol, jmol etc. 

The compiled script is also attached with this email.

However, you may need to compile the python package for it.


usage:   geom2geom  name1.fdf  name2.xyz  -x 2 -y 3 -z 3



With Best Regards

Muhammad Ejaz Khan
PhD candidate
Graduate School of Nanoscience and Technology, KAIST

-----------------------Original Message-----------------------
>From: Zahra Talebi <[email protected]>
>To: Sanjiv Jha <[email protected]>
>Sent date: 2012-11-29 13:25:56 GMT +0900 (Asia/Seoul)
>Subject: Re: [SIESTA-L] seeing structure
>
>
>hi
>thanks for your quick answer,
>I want to see the structure before running siesta. do you have solution for 
>that. 
>
>
>From: Sanjiv Jha <[email protected]>
>To: Zahra Talebi <[email protected]> 
>Sent: Thursday, November 29, 2012 7:48 AM
>Subject: RE: [SIESTA-L] seeing structure
>
>
> 
>When you run the .fdf file, you will get .xyz file. This can be visualised by 
>Jmol.
>
>
>
>Best regards,
>Sanjiv K Jha
>Graduate Student
>Department Of Physics, NMSU
>Office: GN 361
>
>From: [email protected] [[email protected]] on behalf of Zahra 
>Talebi [[email protected]]
>Sent: Wednesday, November 28, 2012 9:16 PM
>To: siesta home
>Subject: [SIESTA-L] seeing structure
>
>
>hi every body
>I wanted to know is there a way to see the structure of what we write in fdf 
>by xcrysden just after writing the fdf, or better to say by knowing the place 
>of our atoms in our structure and knowing the primitive vectores or supercell 
>vectores?
>
>

Responder a