[Wien] dstart error

[Peter Blaha]

Instead of   "makeprimitive", use "makeconventional(s)

And please:   view  the resulting structure !!!!

On 06/04/2013 08:25 AM, vishal jain wrote:
> I make a surface Fe(100) using Structgen,

> Following comand I use to make surface
>
> s=loadstruct("Fe.struct")
>
> s1=makeprimitive (s);
>
> n=[1 0 0];
>
> s2=makesurface (s1,n,0,30,26);
>
> savestruct (s2, "Fe1.struct")

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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