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[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Kamel,

Go on ... and add the other needed parameters ...
Xavier

kamel kassa wrote:
> Dear abinit users,
> I want to calculate physical properties of ternary
> alloys AB1-xCx in the zinc-blende phase using
> supercell. My question is how to construct the input
> files ( Definition of the unit cell):
> Here my input file (or Common Data Definition of the
> unit cell)for A B0.25 C0.75 
> acell       3*7.373
> rprim     1.000     0.000     0.00
>           0.000     1.000     0.00
>           0.000     0.000     1.00
>
> ntypat    3 
> znucl Z1 Z2  Z3 
> natom    8 
> typat 1 1 1 1 3 2 2 2 
>
> xred   0.0 0.0 0.0
>        0.0  0.5  0.5
>        0.5  0.0 0.5
>        0.5  0.5  0.0
>        0.25  0.25 0.25
>        0.25 0.75 0.75
>        0.75 0.25 0.75
>        0.75  0.75 0.25
>
> Sincerly
> Kamel K.
>
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