[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
>
> +++++++++++++++++++++++++++++++++++++++++++++++++++++
>
> PEQ/COPPE renova o nivel de curso 7, maximo na CAPES:
> 49 anos de excelencia no ensino e pesquisa de pos-graduação em
> Engenharia Quimica.
>
> ************************************
>
> PEQ/COPPE : 49 years of commitment to excellence in teaching and
> research in Chemical Engineering.
>
> +++++++++++++++++++++++++++++++++++++++++++++++++++++
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
More information about the gpaw-users
mailing list