After specifying the primitive vectors of a structure namely ((adsbygoogle = window.adsbygoogle || []).push({}); a,b,c) in Wien2k, one has to specify locations of atoms in unit cell.There are three components X,Y,Z which determine the atom location. I want to know whether "X,Y,Z components" are corresponding to vectors a,b,c or they are components of the cartesian system? In other words If we have a typical (X,Y,Z), dose it means that atom location isr=Xa/a+Yb/b+Zc/c orr=Xi/a+Yj/b+Zk/c?

**Physics Forums - The Fusion of Science and Community**

# Determination of atomic bases in unit cell using Wien2k

Know someone interested in this topic? Share a link to this question via email,
Google+,
Twitter, or
Facebook

- Similar discussions for: Determination of atomic bases in unit cell using Wien2k

Loading...

**Physics Forums - The Fusion of Science and Community**