[Pw_forum] Does QE generate random structures?

[Giuseppe Mattioli]

Dear Reza
You may try to play with packmol
http://www.ime.unicamp.br/~martinez/packmol/
It is designed to generate clever starting points for different kinds  
of classical MD simulation, but it can be used for your purpose.  
Remember that it does not deal with single atoms, but I suppose that  
if you use Si dimers and you balance the extra-dimer target distance  
and the intra-dimer distance, you can generate your thin amorphous  
layer.
HTH
Giuseppe

Giuseppe Mattioli
ISM-CNR
Italy

Quoting reza vatan <rezavatan64 at gmail.com>:

> Dear QE users,
>
> I want to create a thin amorphous Si layer on the top of a crystalline
> silicon terminated with (100) plane. Does any one knows if QE has that
> ability. If no, is there any free software for generating those amorphous
> structure?
>
> Any comment and suggestion would be highly appreciated.
>
> Best,
> Reza


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    Giuseppe Mattioli
    CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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