[Pw_forum] Fw: help needed

[Giuseppe Mattioli]

Dear Timothy
There are some *very basic* errors in your atomic positions, and this means that you did not carefully read the manuals and the tutorials.
I recommend that you do it, and that you visualize the results, maybe by using the nice xcrysden program, before writing again to the forum.
HTH
Giuseppe

On Thursday, May 07, 2015 11:57:54 AM TIMOTHY UTO wrote:
>  i try optimizing it in order to obtain something close to it but it was not converging at all.
>  please sorry i also need to know allow to alloy it together for example
>  AB1-xCx
>   how can i get d atomic positions for d atom A, B n C if am to vary x from 0, 0.25, 0.5, 0.75 and 1?
>  thanks
> 
> 
> Uto O T
> phd candidate UI

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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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