[Pw_forum] problem with defining zigzag nanotube

zahra sadat naghavi szs_naghavi at yahoo.com
Tue Oct 16 08:47:29 CEST 2007


hi 
  i want to define the single zigzag nanotube to the code, but it does not recognize the symmetries i'd like(2 instead of 10). what may be the problem?
  ofcourse i am using the Supercell appaoach in Hexagonal Bravais Lattice. and these are the atomic positions( in Angstrom) i use:
   
  1.1750     0.0000    0.7105
  0.5875     1.0176    1.4210
  -0.5875    1.0176    0.7105
  -1.1750    0.0000    1.4210
  -0.5875    -1.0176    0.7105
  0.5875     -1.0176    1.4210
  1.1750     0.0000    -0.7105
  0.5875     1.0176    -1.4210
  -0.5875    1.0176    -0.7105
  -1.1750    0.0000    -1.4210
  -0.5875    -1.0176    -0.7105
  0.5875     -1.0176    -1.4210
   
  thanx for any suggestion

       
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