[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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