export lattice (more than one unit cell) coordinates

5,214 views
Skip to first unread message

physics_fan

unread,
Nov 14, 2012, 7:02:26 AM11/14/12
to vesta-...@googlegroups.com
Hi,

I have a unit cell created.  How do I generate a larger lattice, say 3x3x1 unit cells, in VESTA?  Particularly, I want to be able to EXPORT the coordinates of the larger lattice to a VASP file.  If the unit cell is say 2 atoms, I would like the 18 total in the VASP POSCAR file.

Thanks!

Koichi Momma

unread,
Nov 15, 2012, 9:14:18 PM11/15/12
to vesta-...@googlegroups.com
Please read the following thread.
http://jp-minerals.org/vesta/en/forum.html?place=topic%2Fvesta-discuss%2F847_I453kaY%2Fdiscussion


physics_fan wrote,On (11/14/12 9:02 PM):
> --
>
>
>


--
Koichi Momma
National Museum of Nature and Science
4-1-1, Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-(0)29-853-8163
FAX: +81-(0)29-853-8998
k-m...@kahaku.go.jp
vest...@gmail.com

Samuel Smith

unread,
Oct 23, 2014, 4:36:32 PM10/23/14
to vesta-...@googlegroups.com
Mr. Koichi Momma,

I have a similar question, but it's a bit different.  I'm trying to build a heterostructure of two different materials A (substrate) and B (film).  I created two phases, cleaved A appropriately, and then moved B into the appropriate position.  Vesta displays the heterostructure wonderfully, but I cannot export the entire structure to a ".vasp" file.  Is there a way to do this?

Thank you very much.


Sam
Reply all
Reply to author
Forward
0 new messages