Complementing what Marcos said, if you can, open it in Gdis, it should be clear in the bounding box. In your simulation, when you run it it should say "slab", not "molecule" or "solid", and your supercell should be 3x1x1 (if X is the axis of the nanoribbon.
Hope it helps 2011/5/15 Marcos Veríssimo Alves <[email protected]>: > Make an xsf file including the translation vectors (check the XCrysDen > documentation on the website for how to do it, or use Andrei Postnikov's > tool). Then, in XCrysDen, increase the number of repetitions in the > direction you want. If yout structure appears continuous, then it is correct > (in principle). > Marcos > > On Sun, May 15, 2011 at 8:13 PM, deepak srinivasan <[email protected]> > wrote: >> >> Hi >> >> A just have a fundamental doubt >> For the structure i have attached with the mail if i do a siesta the >> structure would be considered to repeat right?? (i.e. since it is periodic >> structure it would be e repeated rightwards and leftwards based on the >> theory) >> >> >> -- >> regards >> deepak >> 3rd Year Under Graduate >> Electronics Design and Manufacturing >> IIIT (D&M),Kancheepuram >> IIT Madras Campus,Chennai > > -- Lucas Fernández Seivane Ph. D. Candidate Universidad de Oviedo - CINN http://sites.google.com/site/quevedin/ http://www.researcherid.com/rid/A-8610-2008
