Stress effect

[Abe]

sir,
     with this i attached one file from Anisotropy of the Stone-Wales Defect and Warping of Graphene Nano-ribbons: A First-principles Analysis .i need to introduce the stress in GNR.i dont know how to introduce Stress in GNR using ATK.In that paper they used Quantumespresso software to get the result.


could you help me how to introduce Stress in GNR using ATK.

[zh]

Several days before, I have made a reply to someone's question for a nearly same topic (i.e., how to introduce the stress) in forum.  Unfortunately, it seems to have been removed by someone.

The uniaxial tensile stress along the ribbon axis can by introduced simply by expanding the lattice constant along the ribbon axis and optimizing the atomic coordinates.

[Anders Blom]

By pure luck I had that post open in a window, and so I was able to at least salvage a screenshot of it!

[zh]

Thank you very much for getting it back!

[Abe]

thank you very much sir