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- From: <mamikon.armen.gulian@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] Two-Dimensional Computation
- Date: Tue, 28 Jul 2009 05:41:38 +0200 (CEST)
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
- [abinit-forum] Two-Dimensional Computation, mamikon.armen.gulian, 07/28/2009
- Re: [abinit-forum] Two-Dimensional Computation, Adam Sorini, 07/28/2009
- Re: [abinit-forum] Two-Dimensional Computation, Emmanuel Arras, 07/28/2009
- Re: [abinit-forum] Two-Dimensional Computation, Adam Sorini, 07/28/2009
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