Hi Quantum espresso user, I would like to know how do we fix the cell parameters for a supercell while running any calculation with quantum espresso as from the manual it has been mentioned about lattice vector which is not making it clear ?
How shall we relate the lattice parameter with the volume added in order to avoid any overlapping? Thanks Dimpy -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090731/b1dfc3e7/attachment.htm
