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?
geom2geom
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