[gpaw-users] SiO2 scripty

Marcin Dulak Marcin.Dulak at fysik.dtu.dk
Mon Nov 12 13:28:49 CET 2012


Hi,

On 11/12/12 02:17, Tadeu Leonardo Soares e Silva wrote:
> Dear
>
> Please,can you help me? I would like to do a calculation with SiO2, but I do not
> have the scripty for this. Would you have this scripty?
i would start by looking at the structures from materialsproject.org:
http://www.materialsproject.org/materials/547211/
They provide cif files that can be read with ase.io.read.

Best regards,

Marcin

>
> Sincerely,
>
> Tadeu
>
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