Hi,
Thanks for your reply. I have done the conversion exactly as you have described, using the inverse transformation matrix for conversion from cartesian to fractional coordinates.
The problem is with the axes I am choosing. In the conversion, one has to choose one of the lattice vectors...
Hi all,
I have been trying to write code to convert from cartesian to fractional coordinates. I think everything is correct in my code (i have used wikipedia as reference - http://en.wikipedia.org/wiki/Fractional_coordinates), but still, the code doesn't work for some test values. The code is...