Dear Leopoldo and all,
Thank you for the comment. I’m relieved that I didn’t do wrong about this.
> If you don´t have a site with full occupation or just two atoms in such a
> site to put first in your atoms list then you will need to apply your trick,
> as far as I know, to have a correct cif
Dear Kotaro,
If you keep a physically sensible structure, any trick is valid when trying
to deal with software limitations.
If you don´t have a site with full occupation or just two atoms in such a
site to put first in your atoms list then you will need to apply your
trick, as far as I know, to
Dear FullProf users,
I would like to make a pcr file for a Heusler alloy with so-called A2
structure, in which three atoms are completely disordered.
(See Fig.1 in http://dx.doi.org/10.1088/0022-3727/48/16/164011
or this direct link
