[Pw_forum] Stacking AB Bilayer

[Jess Wellendorff]

You could consider using Virtual NanoLab (VNL) to set up the 
configuration, see e.g. 
http://docs.quantumwise.com/tutorials/rotated_graphene_layers.html

VNL is free for academics and allows you to set up any kind of 
configuration using a graphical user interface, and the structure can be 
exported as a PWscf input file.

On 02/06/2016 03:51 AM, Mohssine El Bachra wrote:
> Dear All
>
> How to build a stacking AB configuration ( the atomic positions) ?
> the positions that i have used for stacking AA are :
>
> C       0.666666600   0.333333300   0.009596479
> C       0.333333300   0.666666600   0.066303521
> C       0.666666600   0.333333300   0.238196479
> C       0.333333300   0.666666600   0.294903521
>
> I want to get a stack like the one in the picture.
>
> thank you for your help,
>
> -----------------------------------------------------------
>
> Mohssine El Bachra
> Lab of Magnetism and Physics of Height Energy (LMPHE)
> Phd Student Faculty of Science Rabat
> Morocco
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
Jess Wellendorff
Scientific Specialist
QuantumWise A/S
Fruebjergvej 3
Postbox 4
DK-2100 Copenhagen
Denmark

web:   www.quantumwise.com
email: jess.wellendorff at quantumwise.com
--

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160208/70c6dbd0/attachment.html>