[Pw_forum] Fw: help needed

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Fri May 8 17:06:09 CEST 2015

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.

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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