> On 19 Nov 2015, at 20:33, tomy tunde <[email protected]> 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 > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
Here a simple recipe, using XCrysDen: http://www.democritos.it/pipermail/xcrysden/2012-March/001141.html Consider that in the pw.x input file you must update BOTH the atomic positions and the cell size. Giovanni _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
