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[Adam Sorini <asorini@gmail.com>]

Maybe you could put only one k-point in the z-direction. This will speed the calculation up and perhaps is a more physical way to disallow communication between sheets. Does this sounds reasonable, Forum? Good luck,

Adam

On Mon, Jul 27, 2009 at 8:41 PM, <mamikon.armen.gulian@gmail.com> wrote:

Hello ABINIT forum,

I am new to ABINIT and solid state Physics in general. I have been trying to
calculate the properties of Graphene, which is a single sheet of carbon
hexagonal structure. It is not necessary for me to consider more than one
sheet, but the computer, I am afraid, will continue to repeat the unit cell
making sheets above and below (z direction). I have remedied this by making the
acell for z very large, so that there is no interaction between the sheets, but
why should the computer slow itself storing such unnecessary structures? Is it
possible to calculate with a single Graphene sheet in a plane?

Thanks in advance,

Mamikon