[Pw_forum] How to build a supercell with Xcrysden
giovanni.cantele at spin.cnr.it
Thu Nov 19 22:41:56 CET 2015
> On 19 Nov 2015, at 20:33, tomy tunde <rskadeniji at yahoo.com> wrote:
> Dear all,
> Still on the previous subject matter, I will appreciate if anyone can please tell me the procedure of using Xcrysden to build a supercell for hexagonal structure.
> Thanks you all.
> Adeniji Rasaki Idowu
> Pw_forum mailing list
> Pw_forum at pwscf.org
Here a simple recipe, using XCrysDen:
Consider that in the pw.x input file you must update BOTH the atomic positions and the cell size.
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