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
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Jess Wellendorff
Scientific Specialist
QuantumWise A/S
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