xred coordinates: can i do simple math eg 0.44 + 1/3?

brehmj · Post by **brehmj** » Wed Oct 23, 2013 2:53 pm

So,
I have a structure which has coordinates that are not on high symmetry points.
Wyckoff positions for the space group in question show multipliers of
(0,0,0) + (2/3,1/3,1/3) + (1/3,2/3,2/3) +
Let's say this is for space group 166

For the purposes of this post: I have an atomic position for an atom with Multiplicity 18 and wyckiff letter f of
(0.43, 0,0) How can I get abinit to recognize another atom with 0.43 + 2/3, 0, 0 ?

(I know it can recognize fractions like 1/3, 1/6 etc.)

tnx,

jb