I am sorry, just to clarify, the fractional coordinate matrix I referred to is a rotational matrix in the fractional coordinate system.
On Thu, Sep 4, 2014 at 3:52 PM, Chen Zhao <c.z...@yale.edu> wrote: > Hi all, > > I am just curious whether there are some tools extracting the Euler angles > from a fractional coordinate matrix. I have no luck searching it online. > > Alternatively, I found the analytical solution for the Euler angles from > an orthogonal coordinate matrix. So in the worst case, my problem reduces > to calculating the transformation matrix between the fractional and > orthogonal coordinate system. I feel a little bit at a loss because it is 6 > years since I last studied linear algebra. How can I calculate this for a > specific unit cell? > > Thanks a lot in advance! > > Sincerely, > Chen >
