[xcrysden] help me to re-orient the crystal lattice

venkatesh chandragiri venkyphysicsiitm at gmail.com
Wed Aug 23 18:04:47 CEST 2017


Dear xcrysden users,

I want to make a structure file such that my global c-axis/z-axis was
parallel to the local octahedral axis (Here, local z-axis is along two
oxygen atoms with longer distance of each octahedra). Kindly, let me know
the procedure to play the oreintation of global axis of the crystal or
changing the orientation of the entire unit cell such that my new unit cell
has all octahedra with new orientation with respect to the global axis
(local z-axis parallel to the global z-axis).

I am attaching here xsf file for your reference.


thanks

with best regards,

venkatesh
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