There are two choices. First, you'd better learn crystallography well, and calculate the CELL_PARAMTERS and atoms positions by yourself. Second, you can use the program spacegroup in ELK FP-LAPW code to find them.
At 2011-06-13 20:44:09?"zafar rasheed" <zafartariq2003 at yahoo.com> wrote: Hi I am PhD scholar and using Quantum Espresso Software. I do not know how to create supercell from unit cell. I do not know how to set CELL PARAMETERS option when we set ibrav=0. We actually want to create nanotube. I hope that you will guide me about this. Best Regards Muhammad zafar PhD scholar TheIslamia University of Bahawalpur, Pakistan -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110613/71d61275/attachment.htm
