[Pw_forum] bent system

[ali kazempoor]

Dear all
 Is there (in dft codes like espresso) any method like supercell method to simulate bent system like nanobelt(bent one dimensional system)?
or it must be  used from  non-periodic condition (open boundary condition)?
thanks
Ali kazempour,Isfahan university of technology,Isfahan, Iran 


      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080918/a04629ce/attachment.html>