On Dec 11, 2008, at 7:29 , Reza Kalantari wrote: > I know that I should use supercell for this purpose but I don't > know how can I do it? > there is no conceptual difference between a so-called "supercell" and a crystal cell. > Have you seen ever such as this simulation by Quantum-Espresso? > like this? http://web.mit.edu/newsoffice/2006/nanotubes.html
P. --- Paolo Giannozzi, Democritos and University of Udine, Italy
