[Wien] dstart error

vishal jain vjain045 at gmail.com
Tue Jun 4 10:15:29 CEST 2013


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 <pblaha at 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
> ------------------------------**------------------------------**
> --------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
> theochem/ <http://info.tuwien.ac.at/theochem/>
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