Dear siesta users My system is a bilayer armchair graphene nanoribbon (N=3). i don t know how to define the lattice vectors to give me the correct structure. i would appreciate if anyone help me to determine the lattice vectors and give me an explanation to understand it.
here are my atomic positions: %block AtomicCoordinatesAndAtomicSpecies # x y z 0 0 0 1 #1 0.7100 1.2300 0 1 #2 0 2.4600 0 1 #3 2.8400 0 0 1 #4 2.1300 1.2300 0 1 #5 2.8400 2.4600 0 1 #6 1.4200 0 3.5300 1 #7 2.1300 1.2300 3.5300 1 #8 1.4200 2.4600 3.5300 1 #9 4.2600 0 3.5300 1 #10 3.5500 1.2300 3.5300 1 #11 4.2600 2.4600 3.5300 1 #12 0.5500 -0.9535 0 2 #13 0.5500 3.4135 0 2 #14 2.2900 -0.9535 0 2 #15 2.2900 3.4135 0 2 #16 2.6800 -0.9535 3.5300 2 #17 2.6800 3.4135 3.5300 2 #18 3.00 -0.9535 3.5300 2 #19 3.00 3.4135 3.5300 2 #20 %endblock AtomicCoordinatesAndAtomicSpecies
