Sorry!! For a nano-ribbon, k point grid should be 1x1xA.
* * On Fri, Sep 20, 2013 at 10:37 AM, Sonu Kumar <[email protected]> wrote: > 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 >> > >
