  The O(N) and parallelization techniques have been successfully applied in
tight-binding molecular-dynamics simulations of single-walled carbon nanotubes
(SWNTs) of various chiralities. The accuracy of the O(N) description is found
to be enhanced by the use of basis functions of neighboring atoms (buffer). The
importance of buffer size in evaluating the simulation time, total energy, and
force values together with electronic temperature has been shown. Finally,
through the local density of state results, the metallic and semiconducting
behavior of (10x10) armchair and (17x0) zigzag SWNT s, respectively, has been
demonstrated.
