Dear Sir,

As per your suggestion i use make conventional(s) but showing same error
I attached here  both error file and structure file

Thanks & Regards

Vishal Jain


On Tue, Jun 4, 2013 at 1:05 PM, Peter Blaha <pbl...@theochem.tuwien.ac.at>wrote:

> 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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Attachment: dstart.error
Description: Binary data

Attachment: Fe1.struct
Description: Binary data

<<attachment: Fe1.png>>

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