Dear all,
I have some questions about the Stephens function implementation [1] and I'd be very grateful if anyone could help me out.
Firstly, when the refinement is performed, what are the units of the S004, S400
etc. parameters? This detail should probably be added to the Wiki page
Secondly, should these parameters be constrained positive? I have one of them refined negative and am not sure this is reasonable
Thirdly, I've been advised that to compare the S parameters from a refinement, they should be scaled based on the lattice parameters, but I cannot find a suitable equation for a tetragonal unit cell - can anyone advise me on this?
Thank you for taking the time to read this, and for any advice you can give.
Kind regards,
Liam
[1]
http://topas.dur.ac.uk/topaswiki/doku.php?id=stephens_peakshape&s[]=stephens&s[]=peakshape&s[]=low