[xcrysden] Supercell with sides not parallel to unit cell sides

Amar Singh amarsingh122014 at rediffmail.com
Wed Oct 4 15:58:35 CEST 2017


Dear Friends,​I have a  rhombohedral unit cell with ten atoms. I want to form a supercell o f 45 atoms using this unit, but with three sides of supercell not being parallel to the original lattice vectors (a, b, c) of the unit cell. Can it be done by XCrySDen. ​I can surely multiply the unit cell in XCrysDen to form a large unit, but is it possible to truncate this large unit to give a slab in desired orientation. At the end of it, I need the positions of all 45 atoms as well as size of the supercell.thanks 
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