[Wien] (111) plane in EL.DEN

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Sep 6 12:23:40 CEST 2004


> I ask you for how to select coordinates in input file (Edit Tic.in5)
> EL.DEN for (111) plane in tetragonal phase "PbTiO3".

The same answer applies as the one given by Steven Homolya a few hours 
ago to a similar question:

==> I want to set a plane including the centers of the Hg(0.71923271 
==> 0.00000000 0.33333333), and S(0.49603658 0.00000000 0.83333333), 
==> but I do not know how to  set the coordinations of the origin, the 
==> x-end and the y-end, respectively, in the case.in5c file. who can 
==> help me?

*>Get yourself a copy of XCrysDen (from www.xcrysden.org). It lets you 
*>select planes for charge density plots by clicking on "atoms".
*>
*>Cheers,
*>Steve

Stefaan







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