[Pw_forum] to Neel singh

ramesh kumar raamesh123 at rediffmail.com
Mon Sep 7 13:36:36 CEST 2009


	
Neel Singh wrote:
> hi,
> I need some help in drawing crystal using xcrysden. Sir/Madam, let us
> take the case of FCC for which ibrav=2, and celldm(1)=9.000. Now if i
> know that i have 18 atoms in my unit cell and i know the Cartesian
> co-ordinates{x,y,z} of each atom in angstrom/bhor. I want to know that
> how can i draw my unit cell with giving positions of all the atoms
> without using the symmetries by xcrysden??. Means like if i specifiy,

Dear Neal singh....i hope u want to draw supercell with out using the symmetry ...it means using the p1 space group and manually placing all the atoms....in any case...please try using crystal maker demo version here is the link....please mind that the copying the figure is prohibited in the demo version
http://www.crystalmaker.com/crystalmaker/download.html 

With regards

K. Ramesh Kumar
Research Scholar
Department of Physics
IIT-Madras
Chennai-600 036
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