He should NOT add more atoms to the input. That's the mistake all the
beginners make! He should understand the concept of a crystal and a unit
cell, and find a program that can display multiple unit cells (pretty
much any program that displays periodic structures has that option
somewhere).
Herbert
On 14/05/2013 17:12, Gomes Rocha wrote:
Hello,
I did not see your file yet.
But what I presume is that you are seeing is the only 2 non-equivalent
carbon
atoms of graphene unit cell. To see a wider hexagonal array of atoms,
you will need to add more atoms in your input file. In other words, to
translate
this unit cell in space.
best
C
On 14 May 2013 15:58, Drogar <[email protected]
<mailto:[email protected]>> wrote:
hi Dear User
I wanna to visualize graphene honeycomb with XCrySDen.
after running siesta and using "xv2xsf" what I saw , there was just
2 atom.
I guess I must add something to my graphene.fdf
my .fdf is attached.
I will be grateful for any suggestions.
--
Best
Drg
Ferdowsi University .
--
Herbert Fruchtl
Senior Scientific Computing Officer
School of Chemistry, School of Mathematics and Statistics
University of St Andrews
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The University of St Andrews is a charity registered in Scotland:
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