Re: [SIESTA-L] Question about sisl geometry creation

2021-06-29 Por tôpico Nick Papior
That is because the geometry will be stored in the geometry object.

It seems you are new to Python? In any case reading up on using Python and
scripting in Python seems appropriate.
To write any geometry object, you would do: geometry.write("filename.xyz")
or what-ever file format implemented.

Den man. 28. jun. 2021 kl. 22.06 skrev Zerota Achili :

> Dear Prof. Papior,
>
> I am a beginner with your code sisl .
>
> I have noticed in the sisl introduction part you mentioned that for
> graphen  geometry creation
> we can use for example the following code:
>
> import sisl
> graphene = sisl.geom.graphene(1.42).repeat(100, 0).repeat(100, 1)
>
> I write to ask where this geometry will be stored (positon and cell
> structural parameters).
> I ran these few lines in my Jupyter notebook but could not see the
> geometry or any out file?
>
>
> Best regards,
> Zerota
>
>
>
>
>
>
>
>
>
>
>
> --
> SIESTA is supported by the Spanish Research Agency (AEI) and by the
> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
>


-- 
Kind regards Nick

-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)


[SIESTA-L] Question about sisl geometry creation

2021-06-28 Por tôpico Zerota Achili
Dear Prof. Papior,

I am a beginner with your code sisl .

I have noticed in the sisl introduction part you mentioned that for
graphen  geometry creation
we can use for example the following code:

import sisl
graphene = sisl.geom.graphene(1.42).repeat(100, 0).repeat(100, 1)

I write to ask where this geometry will be stored (positon and cell
structural parameters).
I ran these few lines in my Jupyter notebook but could not see the geometry
or any out file?


Best regards,
Zerota

-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)