If you want to build a supercell, you can use the "Boundary" button to define the extant of the supercell, then use the option "Export Data" under file menu to save as a .xyz file. It will ask to "save hidden atoms too?". Select yes or no, depending on whether you have deleted some of the atoms or not after selecting them. Other options in the export menu only save the unit cell.
Regards Sharat Chandra --- On Tue, 5/4/11, Marcos Veríssimo Alves <marcos.verissimo.al...@gmail.com> wrote: From: Marcos Veríssimo Alves <marcos.verissimo.al...@gmail.com> Subject: [SIESTA-L] Off-topic: Vesta To: siesta-l@uam.es Date: Tuesday, 5 April, 2011, 11:16 PM Hi all, This has nothing to do with Siesta, strictly speaking, but it could be of general interest: supercell building. I see many people here use and like GDIS. I have tried to download and compile it once, but it didn't compile. With the executable version of GDIS that came with Ubuntu, I found it rather cryptical to use. I feel more comfortable with Vesta, so I would like to know if there are any people knowledgeable in this software here, willing to share a few tips for my specific case? I'll gladly explain it if someone who knows a bit of Vesta is willing to do so :) Cheers, Marcos
