[Ifeffit] Primitive unit cell from .cif file

joshua jason kas hebhop at u.washington.edu
Wed Jun 17 13:16:49 CDT 2009


Hi everyone,
I was wondering if there is a simple (free) utility for producing a
primitive cell (not conventional) from an asymmetric cell and space group.
Basically, I want to be able to easily go from a crystallographic
information file to a primitive unit cell. I know that there are ways to
do this within applications like material studio, but these are expensive.
Any help would be appreciated.
Thanks,
Josh Kas



More information about the Ifeffit mailing list