[Re:01] Convert cif to AkaiKKR

Posted on : February 17, 2018 (Sat) 20:51:24

by Youssef Aharbil

Dear Saleem,

you can use xband program with it's graphical user interface to create a structure.
it's not an automated process, but you have to input each Wyockoff site by hand just afterward you can export to akaikkr format.

http://ebert.cup.uni-muenchen.de/index.php?option=com_content&view=article&id=10&catid=4&Itemid=7&lang=en

Youssef Aharbil
PhD
Laboratory of Physics and Chemistry of Material
Morocco