[Wien] structeditor for creating a surface

Madhav Ghimire ghimire.mpg at gmail.com
Thu Jun 27 03:48:05 CEST 2013


Dear Robert and wien2k users,
   I am creating a surface using structeditor program which required octave
enironment, I came across

sr=makesurface(s,n,ind,depth,vac)

which creates surface for a given unitcell

where:      s       input structure
                 n       normal vector (in lattice coordinates)
                 ind     an index of an atom which should be in (0 0 0)
                * depth   thickness of the material*
                 vac     thickness of the vacuum layer

   example: sr=makesurface(s,[0 0 1],1,30.0,20.0)

Now my doubt is:
How shall I realize the thickness of the particular material (for example
Fe)
 I mean can I choose it manually (any number) or I need to know the proper
thickness of the material.
If so, can anyone help where I can find the thickness information of the
material.

Thanks in advance
Madhav
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