Hi Mohammadreza, On Thu, May 1, 2014 at 8:32 PM, Rezaee, Mohammadreza <mrez...@utk.edu> wrote: > Dear Avogadro, > > > Thank you so much for such a great job you do for science community. > > I was wondering how can I use Avogadro to simulate an structure like > Graphene. In cell builder we can have 3D cell but not 2D structure. Can you > please help me with that.
Avogadro only supports 3D periodicity. However, you can create a graphene structure as a 3D structure and then create a supercell with repeats in only 2 dimensions to model an extended graphene surface. For calculations where you only want a single cell as input, you can generate a 3D-periodic structure and manually adjust the input file to have 2D-periodicity. Hope this helps, Dave ------------------------------------------------------------------------------ "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across 300+ browser/OS combos. Get unparalleled scalability from the best Selenium testing platform available Simple to use. Nothing to install. Get started now for free." http://p.sf.net/sfu/SauceLabs _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
