Dear Amar, You can check by yourself as what should be the k-mesh for sampling the k space in your system.
For a nano-ribbon, k point grid could be AxAx1, with nano-ribbon along Z direction. where, A range from 2, 3, ....50, 60, .... and so on depending upon the size of the system and convergence conditions. It would be much better, if your read relevant papers about the nano-ribbons. one could be http://arxiv.org/pdf/1001.4407.pdf hope it helps. regards, sonu IITD * * On Fri, Sep 20, 2013 at 10:07 AM, Dr. Amar Bahadur <[email protected]>wrote: > > Dear siesta users, > Is there any helpful link that could provide > the k-point sampling of graphene nanoribbon? > -- > Kind Regards. > > ====================== > Dr. Amar Bahadur > (Department of Physics) > Kamla Nehru Institute of Physical and Social Sciences, > Sultanpur- 228 118 (U.P.) India > Email: [email protected] <[email protected]> > Mob.-+91-9451431428 >
